data_2k7i_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2k7i _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 ttm . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -171.84 162.5 6.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.574 1.15 . . . . 0.0 110.175 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -166.0 -179.54 5.25 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.177 -175.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.459 ' HZ ' HG22 ' A' ' 45' ' ' ILE . 83.0 m-85 -99.85 113.3 25.73 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.382 1.073 . . . . 0.0 109.743 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.65 112.49 24.23 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.498 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 26.0 mt -99.39 114.33 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -174.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.602 ' HE1' ' HG3' ' A' ' 17' ' ' ARG . 27.2 p90 -134.22 168.62 18.53 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.34 142.45 43.56 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 169.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.47 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 36.0 t70 -77.93 163.61 25.85 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 123.667 0.787 . . . . 0.0 109.581 177.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -48.04 -33.17 7.62 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.132 1.373 . . . . 0.0 112.493 176.179 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.419 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -73.38 7.53 2.23 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 124.771 1.228 . . . . 0.0 112.468 176.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.46 22.67 77.8 Favored Glycine 0 C--N 1.346 1.107 0 C-N-CA 123.565 0.603 . . . . 0.0 112.671 -173.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 34.6 mt-10 -94.21 94.86 8.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.65 0.38 . . . . 0.0 111.518 -170.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.47 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 95.7 m-85 -53.76 131.32 39.24 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.49 171.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.42 ' NH1' ' HG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -158.19 170.44 22.27 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 125.153 1.533 . . . . 0.0 109.727 -172.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -145.76 138.82 26.02 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.627 ' HD2' HG23 ' A' ' 25' ' ' THR . 23.0 mtm180 -107.29 165.01 11.7 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.66 0.784 . . . . 0.0 109.029 173.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.559 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 21.6 t80 -127.16 142.24 51.55 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 173.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -98.91 -177.5 3.66 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.293 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . . . -134.42 161.08 36.01 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.805 1.242 . . . . 0.0 108.322 175.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 p -54.61 -28.43 46.57 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.345 1.058 . . . . 0.0 113.367 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -86.06 16.75 4.0 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.437 0.695 . . . . 0.0 111.174 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.48 49.98 68.83 Favored Glycine 0 C--N 1.354 1.547 0 C-N-CA 123.585 0.612 . . . . 0.0 113.604 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 6.9 pt-20 -140.09 138.92 35.71 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.151 0.58 . . . . 0.0 109.897 -175.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.627 HG23 ' HD2' ' A' ' 17' ' ' ARG . 54.4 m -78.42 141.97 37.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.293 0.637 . . . . 0.0 109.957 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.559 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.3 ppp? -120.29 -21.46 6.92 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.031 0.932 . . . . 0.0 111.665 -176.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.548 ' HE2' ' HB2' ' A' ' 29' ' ' SER . 3.3 p90 -152.22 161.89 41.95 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.497 0.665 . . . . 0.0 111.165 167.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.42 ' HG ' ' NH1' ' A' ' 15' ' ' ARG . 25.4 t -130.93 141.91 50.32 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 113.263 -1.789 . . . . 0.0 107.12 166.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.548 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 43.0 t -102.61 175.11 5.61 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.344 0.592 . . . . 0.0 110.405 -173.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.474 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 10.2 pt-20 -79.75 -16.1 56.24 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.471 169.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 74.57 -2.05 49.16 Favored Glycine 0 C--N 1.363 2.041 0 N-CA-C 115.597 0.999 . . . . 0.0 115.597 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.474 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 3.0 t80 82.79 -53.55 0.19 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.995 1.718 . . . . 0.0 111.624 169.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -165.88 -57.45 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.332 0.653 . . . . 0.0 111.128 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -146.1 -171.78 3.79 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.817 0.847 . . . . 0.0 109.314 -169.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.511 ' NZ ' HG22 ' B' ' 58' ' ' THR . 22.6 ttmm -65.27 -49.68 68.66 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.23 0.468 . . . . 0.0 110.763 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.48 -39.4 73.18 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.285 0.634 . . . . 0.0 111.193 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.472 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.6 m -72.5 -30.32 64.4 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.997 177.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.09 -54.72 18.74 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.799 0.84 . . . . 0.0 110.511 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.416 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 2.1 mp -57.39 -47.97 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 123.385 0.674 . . . . 0.0 110.712 175.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -57.21 -38.6 73.97 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.217 0.607 . . . . 0.0 111.531 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB2' ' HE2' ' B' ' 26' ' ' MET . . . -61.47 -53.36 57.43 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.406 ' HA ' HG12 ' A' ' 45' ' ' ILE . 72.7 mt -58.57 -27.59 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 122.814 0.446 . . . . 0.0 111.529 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB3' ' NH2' ' A' ' 47' ' ' ARG . 56.7 mm-40 -62.63 -39.54 94.15 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.989 0.515 . . . . 0.0 110.117 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.43 ' HB2' ' HE1' ' B' ' 26' ' ' MET . 16.3 m -54.39 -38.72 66.49 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 123.849 0.718 . . . . 0.0 112.112 172.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.497 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.1 mm -69.31 -40.58 80.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -175.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.5 mmmm -62.74 -21.79 66.06 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -177.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' NH2' ' HB3' ' A' ' 43' ' ' GLU . 38.0 mmt-85 -72.32 -60.28 2.31 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.846 -172.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -163.64 17.25 0.07 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 122.75 0.42 . . . . 0.0 110.981 -170.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.497 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 22.8 t -64.47 -32.15 73.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.694 -0.629 . . . . 0.0 112.423 -175.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.39 -23.05 67.24 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.965 172.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.32 -7.97 36.53 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-O 119.489 -0.617 . . . . 0.0 113.811 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.52 151.68 36.83 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.796 0.838 . . . . 0.0 111.545 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -76.37 159.33 30.6 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.161 0.505 . . . . 0.0 110.444 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -119.63 99.36 6.61 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.105 0.562 . . . . 0.0 109.647 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.16 126.08 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.56 1.144 . . . . 0.0 109.373 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.456 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.4 t70 -99.18 111.14 23.59 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.065 0.546 . . . . 0.0 110.393 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.78 -30.77 45.76 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.866 0.867 . . . . 0.0 112.441 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.668 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 12.3 t -81.76 12.6 3.8 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -166.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.584 HG22 ' HZ1' ' B' ' 35' ' ' LYS . 3.2 p . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 168.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ttt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -165.64 157.13 14.25 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.87 1.268 . . . . 0.0 109.561 171.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 179.0 8.04 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.271 0.628 . . . . 0.0 111.814 -171.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.485 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 84.6 m-85 -99.52 112.95 25.08 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 124.419 1.088 . . . . 0.0 109.718 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.429 ' HB2' ' HG2' ' B' ' 17' ' ' ARG . 33.4 mt-10 -94.73 112.62 24.35 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 23.1 mt -99.18 114.75 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -174.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.668 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 46.2 p90 -134.3 167.7 20.23 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -111.33 142.38 43.64 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 168.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.55 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 26.7 t70 -77.93 163.89 25.6 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.14 0.976 . . . . 0.0 109.013 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -33.32 10.19 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 125.034 1.334 . . . . 0.0 112.432 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.31 7.91 2.0 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 124.64 1.176 . . . . 0.0 112.669 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.76 23.39 76.84 Favored Glycine 0 C--N 1.35 1.306 0 C-N-CA 123.803 0.716 . . . . 0.0 112.888 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.55 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 39.1 mt-10 -93.45 95.57 9.36 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.677 0.391 . . . . 0.0 111.146 -170.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.476 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 60.5 m-85 -55.4 129.16 37.57 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.124 0.57 . . . . 0.0 110.503 171.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -153.75 170.51 20.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.274 1.829 . . . . 0.0 109.085 -172.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -146.04 139.4 26.04 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.429 ' HG2' ' HB2' ' B' ' 5' ' ' GLU . 8.9 ptp180 -107.63 165.8 11.15 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.55 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 23.0 t80 -127.67 142.01 51.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -99.05 -177.9 3.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.229 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.98 161.41 34.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.613 1.165 . . . . 0.0 108.033 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 88.2 p -54.82 -28.77 51.95 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.316 1.046 . . . . 0.0 113.338 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -86.23 17.59 3.59 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 123.493 0.717 . . . . 0.0 111.518 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.67 48.47 81.16 Favored Glycine 0 C--N 1.352 1.444 0 C-N-CA 123.815 0.721 . . . . 0.0 113.761 175.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -139.18 139.82 37.64 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.264 0.626 . . . . 0.0 110.11 -176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 90.4 m -78.76 142.05 37.33 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.445 0.698 . . . . 0.0 109.936 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.55 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.4 ppp? -120.16 -21.55 6.96 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.549 -176.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . 0.554 ' HE2' ' HB3' ' B' ' 29' ' ' SER . 3.0 p90 -152.22 161.25 42.89 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.606 0.717 . . . . 0.0 111.137 168.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -130.48 141.51 50.51 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 113.39 -1.732 . . . . 0.0 106.926 166.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.554 ' HB3' ' HE2' ' B' ' 27' ' ' PHE . 86.2 p -102.59 176.92 5.01 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.195 0.522 . . . . 0.0 110.265 -174.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -82.39 -13.8 56.26 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.575 169.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 73.93 -1.3 47.88 Favored Glycine 0 C--N 1.356 1.689 0 N-CA-C 115.498 0.959 . . . . 0.0 115.498 -178.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 82.63 -53.72 0.2 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.666 1.587 . . . . 0.0 111.68 169.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -166.45 -57.84 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.447 0.699 . . . . 0.0 110.949 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.465 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -146.52 -171.14 3.68 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.728 0.811 . . . . 0.0 108.978 -169.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.584 ' HZ1' HG22 ' A' ' 59' ' ' THR . 24.6 tttp -66.16 -49.42 67.47 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.254 0.621 . . . . 0.0 110.577 178.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.13 73.35 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.647 0.779 . . . . 0.0 110.973 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.465 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 8.1 m -72.98 -30.56 63.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.859 0.864 . . . . 0.0 111.015 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.91 -54.6 20.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.814 0.846 . . . . 0.0 110.508 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.429 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.2 mp -57.75 -47.55 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.192 0.597 . . . . 0.0 110.942 175.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.6 -39.11 73.01 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 123.454 0.701 . . . . 0.0 111.772 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' HE1' ' A' ' 26' ' ' MET . . . -61.62 -53.66 53.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.314 174.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.403 HG21 ' HD3' ' B' ' 46' ' ' LYS . 73.2 mt -58.08 -28.23 33.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 122.885 0.474 . . . . 0.0 111.352 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.459 ' HB3' HH21 ' B' ' 47' ' ' ARG . 51.9 mt-10 -62.5 -39.23 92.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.851 0.461 . . . . 0.0 109.973 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.411 ' HB2' ' HE3' ' A' ' 26' ' ' MET . 7.8 m -54.69 -38.72 67.34 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.692 0.62 . . . . 0.0 112.115 172.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.485 HG21 ' HZ ' ' B' ' 4' ' ' PHE . 3.3 mm -68.84 -40.54 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -175.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.1 mmmm -63.06 -21.95 66.52 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.119 -0.946 . . . . 0.0 113.395 -176.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.459 HH21 ' HB3' ' B' ' 43' ' ' GLU . 21.7 mmt180 -71.39 -61.21 1.86 Allowed 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.491 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -163.51 17.72 0.07 Allowed 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.867 0.467 . . . . 0.0 111.233 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.473 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 23.0 t -64.22 -32.36 73.91 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.695 -0.628 . . . . 0.0 112.254 -176.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.42 -22.69 67.03 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.81 0.444 . . . . 0.0 111.915 172.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.41 -8.07 36.11 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-O 119.371 -0.683 . . . . 0.0 113.932 173.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.59 151.25 38.42 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.848 0.859 . . . . 0.0 111.566 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -75.36 158.6 32.52 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.221 0.534 . . . . 0.0 110.563 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 41.7 m -119.57 99.57 6.75 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.406 0.683 . . . . 0.0 109.608 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.79 125.69 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.743 1.217 . . . . 0.0 109.505 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.498 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.3 t70 -99.42 110.03 22.56 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.37 0.668 . . . . 0.0 110.259 175.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 mp -77.74 -30.51 51.64 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.349 1.06 . . . . 0.0 111.955 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.591 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.6 t -81.81 7.01 13.81 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 118.166 0.439 . . . . 0.0 112.059 -167.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.545 0.785 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 167.605 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.75 172.89 16.26 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.171 0.588 . . . . 0.0 112.329 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -157.25 174.98 14.63 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.563 -174.183 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.44 ' HZ ' HG23 ' A' ' 45' ' ' ILE . 76.9 m-85 -100.92 120.69 40.53 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.354 1.062 . . . . 0.0 109.642 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 16' ' ' PHE . 78.2 mt-10 -92.34 107.35 19.15 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.592 0.757 . . . . 0.0 110.005 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 38.1 mt -100.67 113.78 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.524 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 20.8 p90 -138.87 178.29 7.26 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -177.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -115.52 141.56 47.89 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 163.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.579 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 19.4 t70 -78.38 165.72 23.49 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -51.02 -35.33 33.55 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.224 1.01 . . . . 0.0 112.308 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.501 ' HB1' ' HG2' ' A' ' 13' ' ' GLU . . . -73.97 6.58 3.24 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 123.879 0.872 . . . . 0.0 112.637 176.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.04 29.43 60.66 Favored Glycine 0 C--N 1.351 1.363 0 C-N-CA 124.314 0.959 . . . . 0.0 112.444 -175.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 11.4 mm-40 -92.96 89.17 6.43 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.344 0.258 . . . . 0.0 110.991 -171.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.403 ' CD1' ' HB3' ' A' ' 35' ' ' LYS . 64.1 m-85 -59.02 125.13 22.36 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.099 0.476 . . . . 0.0 111.297 173.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' NH1' ' HG ' ' A' ' 28' ' ' SER . 10.8 ptt180 -169.61 165.97 10.08 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 114.204 -1.362 . . . . 0.0 111.693 -172.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 48.4 p90 -128.34 144.2 51.1 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.56 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.655 ' HD2' HG22 ' A' ' 25' ' ' THR . 41.8 mtm180 -108.2 165.03 11.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.392 1.077 . . . . 0.0 108.562 170.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.55 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 20.1 t80 -125.87 138.6 53.81 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 170.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -100.21 -178.38 3.81 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.148 0.979 . . . . 0.0 111.852 -173.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.37 162.47 30.05 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.273 -1.33 . . . . 0.0 108.693 174.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.5 p -53.16 -26.33 16.71 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -85.31 -1.82 57.39 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.137 0.575 . . . . 0.0 111.898 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.35 28.98 46.57 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 123.023 0.344 . . . . 0.0 112.429 -172.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -103.11 124.83 49.31 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.354 0.662 . . . . 0.0 110.576 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.655 HG22 ' HD2' ' A' ' 17' ' ' ARG . 93.6 m -77.77 129.65 35.74 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 173.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.55 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -108.3 -17.98 13.87 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.663 0.785 . . . . 0.0 112.171 -176.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.443 ' HE2' ' HB2' ' A' ' 29' ' ' SER . 5.4 p90 -156.95 163.58 38.97 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.46 0.648 . . . . 0.0 111.912 166.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.417 ' HG ' ' NH1' ' A' ' 15' ' ' ARG . 37.8 t -129.05 141.16 51.32 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.336 -1.756 . . . . 0.0 106.681 169.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.502 ' HG ' ' HB2' ' B' ' 27' ' ' PHE . 36.0 t -101.91 178.9 4.48 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.103 0.561 . . . . 0.0 110.128 -174.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -93.99 -6.96 44.18 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.495 0.718 . . . . 0.0 109.599 169.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.46 3.51 82.86 Favored Glycine 0 C--N 1.357 1.723 0 N-CA-C 114.608 0.603 . . . . 0.0 114.608 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.507 ' HD2' ' HB3' ' A' ' 37' ' ' SER . 76.7 t80 75.74 -63.05 0.42 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.453 1.501 . . . . 0.0 111.101 176.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -152.87 -49.51 0.1 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.283 0.633 . . . . 0.0 111.107 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -151.61 -175.34 5.16 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.658 0.783 . . . . 0.0 109.585 -172.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -70.11 -46.31 65.07 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 119.115 0.871 . . . . 0.0 110.969 -178.681 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.481 ' N ' ' HD3' ' A' ' 35' ' ' LYS . . . -59.2 -40.76 86.76 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.076 0.551 . . . . 0.0 110.467 177.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.507 ' HB3' ' HD2' ' A' ' 32' ' ' TYR . 4.4 m -65.68 -29.87 70.48 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.874 176.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.61 66.65 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.269 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -54.8 -50.85 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 123.157 0.583 . . . . 0.0 110.882 172.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -58.33 -37.02 74.28 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.392 0.677 . . . . 0.0 111.152 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.494 ' HB1' ' HE1' ' B' ' 26' ' ' MET . . . -62.57 -51.24 68.11 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.49 173.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.485 ' O ' ' HD2' ' A' ' 46' ' ' LYS . 73.2 mt -61.06 -25.55 36.48 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 O-C-N 122.053 -0.405 . . . . 0.0 111.653 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 46.7 mt-10 -69.55 -30.64 68.49 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.474 ' HB2' ' HE3' ' B' ' 26' ' ' MET . 37.7 m -57.56 -39.49 76.8 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 123.743 0.652 . . . . 0.0 111.427 169.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.529 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.9 mm -67.91 -41.2 84.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -173.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -57.84 -28.96 64.59 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.611 1.164 . . . . 0.0 113.787 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.5 mmt180 -70.69 -47.94 57.25 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -170.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -174.07 16.49 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 123.332 0.395 . . . . 0.0 111.913 -172.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.529 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.2 t -66.05 -30.56 71.11 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.445 -0.784 . . . . 0.0 112.179 -175.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.24 -37.75 75.5 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 123.424 0.452 . . . . 0.0 111.679 171.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.06 2.27 65.84 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.705 -0.497 . . . . 0.0 113.941 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.08 157.84 24.3 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.512 0.725 . . . . 0.0 112.164 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.488 ' HB3' ' HB3' ' B' ' 3' ' ' LYS . 29.8 t0 -83.45 153.34 24.52 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 m -117.15 100.83 7.98 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.896 0.478 . . . . 0.0 109.833 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.7 t -105.32 130.09 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.673 0.789 . . . . 0.0 110.319 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.683 ' HB2' HG23 ' A' ' 59' ' ' THR . 5.2 m-20 -98.62 108.4 21.08 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.869 0.868 . . . . 0.0 109.377 175.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mp -77.8 -14.58 59.54 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.244 1.018 . . . . 0.0 111.226 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -100.37 21.6 12.87 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 123.498 0.719 . . . . 0.0 110.429 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.683 HG23 ' HB2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 C-N-CA 123.636 0.774 . . . . 0.0 110.891 173.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ttt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.99 174.05 14.34 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.651 0.78 . . . . 0.0 111.553 175.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -158.44 175.26 13.92 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.486 -174.032 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.421 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 71.7 m-85 -101.09 120.62 40.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.421 1.089 . . . . 0.0 109.57 174.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' B' ' 16' ' ' PHE . 42.7 mt-10 -92.75 107.43 19.21 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.785 0.834 . . . . 0.0 109.81 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.452 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 56.6 mt -100.72 113.86 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.471 ' HE1' ' HG3' ' B' ' 17' ' ' ARG . 5.9 p90 -139.2 178.11 7.42 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -177.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -115.33 141.45 48.02 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 163.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.634 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 24.9 t70 -78.17 165.23 24.19 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -49.62 -35.27 20.49 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.552 1.141 . . . . 0.0 112.939 178.299 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.517 ' HB1' ' HG2' ' B' ' 13' ' ' GLU . . . -75.24 6.92 3.84 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.094 0.958 . . . . 0.0 112.331 177.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.54 29.56 61.49 Favored Glycine 0 C--N 1.345 1.07 0 C-N-CA 124.441 1.02 . . . . 0.0 112.476 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.634 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 16.2 mm-40 -92.7 89.8 6.81 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.316 0.246 . . . . 0.0 110.742 -172.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' B' ' 35' ' ' LYS . 51.4 m-85 -59.67 125.45 23.69 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.212 0.529 . . . . 0.0 111.4 173.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -169.09 165.77 11.1 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.357 -171.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' B' ' 5' ' ' GLU . 48.5 p90 -128.45 143.92 51.06 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.612 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.492 ' HD2' HG23 ' B' ' 25' ' ' THR . 22.7 mtm180 -107.52 165.43 11.42 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.273 1.029 . . . . 0.0 108.473 170.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.525 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 19.6 t80 -126.03 138.4 53.72 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 169.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -100.22 -178.26 3.77 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.041 0.936 . . . . 0.0 111.728 -173.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.31 162.45 30.03 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.183 -1.372 . . . . 0.0 108.889 174.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.1 p -53.89 -25.37 19.75 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -84.9 -1.91 57.18 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.329 0.651 . . . . 0.0 112.32 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.11 28.9 47.98 Favored Glycine 0 C--N 1.341 0.823 0 O-C-N 123.45 0.469 . . . . 0.0 112.297 -172.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -102.29 124.67 48.29 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.448 0.699 . . . . 0.0 110.568 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.492 HG23 ' HD2' ' B' ' 17' ' ' ARG . 98.7 m -77.88 129.61 35.59 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 173.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.525 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.5 ppp? -108.61 -17.53 13.94 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.487 -0.778 . . . . 0.0 112.088 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . 0.502 ' HB2' ' HG ' ' A' ' 29' ' ' SER . 6.1 p90 -156.88 163.98 38.56 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.562 0.696 . . . . 0.0 111.785 166.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -129.5 141.02 51.09 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 113.421 -1.718 . . . . 0.0 106.764 169.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.454 ' HB2' ' HE2' ' B' ' 27' ' ' PHE . 36.4 t -101.83 178.18 4.69 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.172 0.589 . . . . 0.0 110.154 -174.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -92.55 -7.41 47.29 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.298 0.639 . . . . 0.0 109.847 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.37 3.81 83.06 Favored Glycine 0 C--N 1.356 1.67 0 N-CA-C 114.884 0.714 . . . . 0.0 114.884 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.479 ' HD2' ' HB3' ' B' ' 37' ' ' SER . 80.5 t80 75.63 -63.34 0.41 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.429 1.492 . . . . 0.0 111.089 176.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -152.67 -49.48 0.1 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.468 0.707 . . . . 0.0 111.218 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -151.24 -175.51 5.19 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.627 0.771 . . . . 0.0 109.124 -172.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.422 ' HB2' ' CD1' ' B' ' 14' ' ' TYR . 48.1 tttm -70.07 -47.4 62.09 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.978 0.808 . . . . 0.0 110.685 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.24 81.1 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.254 0.549 . . . . 0.0 110.741 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.479 ' HB3' ' HD2' ' B' ' 32' ' ' TYR . 3.7 m -65.98 -29.87 70.33 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.819 176.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.78 67.02 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.869 0.868 . . . . 0.0 110.327 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.406 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.9 mp -54.84 -50.39 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 118.301 0.5 . . . . 0.0 110.949 172.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -59.06 -36.23 74.7 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.106 0.562 . . . . 0.0 111.673 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.491 ' HB3' ' HE2' ' A' ' 26' ' ' MET . . . -62.62 -51.69 66.29 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.367 172.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.496 ' O ' ' HD2' ' B' ' 46' ' ' LYS . 77.8 mt -61.01 -25.66 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 O-C-N 122.092 -0.38 . . . . 0.0 111.682 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 47.7 mt-10 -68.91 -30.12 68.53 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.454 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 32.2 m -58.57 -39.04 79.19 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.144 0.578 . . . . 0.0 111.362 169.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.528 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.2 mm -67.95 -41.53 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 124.025 0.828 . . . . 0.0 108.967 -174.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.496 ' HD2' ' O ' ' B' ' 42' ' ' ILE . 0.7 OUTLIER -57.52 -29.64 64.5 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.824 1.249 . . . . 0.0 113.79 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 31.2 mmm180 -69.8 -47.91 61.08 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -170.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -174.59 16.21 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 O-C-N 123.371 0.419 . . . . 0.0 111.98 -171.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.528 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 24.0 t -66.25 -30.63 71.11 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.405 -0.809 . . . . 0.0 112.214 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.24 76.87 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.753 0.421 . . . . 0.0 111.492 171.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.33 2.74 68.44 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 119.567 -0.574 . . . . 0.0 113.977 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.58 157.58 26.56 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.5 0.72 . . . . 0.0 112.229 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 19.8 t70 -82.49 152.84 25.89 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 16.8 m -116.48 100.55 7.94 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.035 0.534 . . . . 0.0 110.211 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.1 p -105.1 130.78 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.264 0.626 . . . . 0.0 110.656 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.502 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.5 t70 -98.79 108.43 21.12 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.956 0.903 . . . . 0.0 110.212 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.16 -19.76 50.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.29 1.036 . . . . 0.0 112.206 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.524 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 8.9 t -89.52 12.66 15.92 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 118.409 0.549 . . . . 0.0 111.515 -174.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 168.549 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.0 ttp . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.42 172.8 2.37 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.711 0.804 . . . . 0.0 112.571 173.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.89 178.65 8.71 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.417 -172.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.32 120.36 39.82 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.712 1.205 . . . . 0.0 109.375 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HB2' ' HG2' ' A' ' 17' ' ' ARG . 46.6 mt-10 -96.7 111.32 23.53 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 175.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.498 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 42.4 mt -102.8 116.04 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.59 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 35.9 p90 -139.9 -177.85 5.17 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -122.22 155.48 35.76 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 165.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -88.23 159.75 18.0 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.356 -1.293 . . . . 0.0 108.69 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -34.27 2.23 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.681 1.593 . . . . 0.0 113.353 176.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.8 4.7 3.06 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.097 0.959 . . . . 0.0 112.91 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.51 35.07 89.5 Favored Glycine 0 C--N 1.36 1.891 0 C-N-CA 123.917 0.77 . . . . 0.0 112.39 -174.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -111.05 130.28 55.65 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.019 0.528 . . . . 0.0 109.611 -174.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -84.88 127.32 34.1 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -128.04 135.21 49.54 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -122.18 131.09 53.77 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 167.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' HD2' ' HE1' ' A' ' 7' ' ' TYR . 8.9 ptm180 -113.07 164.83 12.99 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.999 0.919 . . . . 0.0 109.059 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.655 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 15.1 t80 -121.62 133.56 54.99 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 171.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -98.6 -179.64 4.38 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.619 -173.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.407 ' HB1' ' HG2' ' A' ' 24' ' ' GLU . . . -132.17 162.6 30.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.226 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 m -53.01 -35.19 59.13 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.622 1.169 . . . . 0.0 113.331 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.403 HD22 ' HB3' ' A' ' 24' ' ' GLU . 4.6 p-10 -83.38 -3.09 57.2 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.986 0.514 . . . . 0.0 111.887 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.9 49.36 6.49 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 123.5 0.571 . . . . 0.0 112.98 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.407 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 10.0 pt-20 -125.15 154.06 42.07 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 174.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.3 m -95.36 144.52 25.83 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.207 0.603 . . . . 0.0 109.585 174.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.655 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.9 ppp? -121.33 -30.51 4.27 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.606 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.48 ' HD2' ' HE3' ' A' ' 26' ' ' MET . 3.3 p90 -138.44 149.13 45.17 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.571 0.7 . . . . 0.0 110.901 167.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 m -123.8 132.42 53.78 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 113.327 -1.76 . . . . 0.0 106.47 169.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -111.99 164.79 12.74 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 123.302 0.641 . . . . 0.0 109.523 -174.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.65 2.18 20.32 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.973 0.909 . . . . 0.0 111.807 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.06 -6.98 61.09 Favored Glycine 0 N--CA 1.477 1.373 0 CA-C-O 120.055 -0.303 . . . . 0.0 113.693 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.9 t80 78.8 -52.11 0.46 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.599 1.96 . . . . 0.0 111.649 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -165.35 -57.82 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.598 0.759 . . . . 0.0 110.364 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.41 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -146.36 -169.99 3.39 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.043 0.937 . . . . 0.0 108.62 -174.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -65.75 -47.5 75.03 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.569 0.622 . . . . 0.0 110.677 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.86 -44.5 70.41 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.213 0.53 . . . . 0.0 110.787 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.41 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 14.8 m -72.19 -28.42 63.19 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.15 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.81 -55.55 14.39 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 123.537 0.735 . . . . 0.0 110.72 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 2.8 mp -60.11 -48.48 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-O 118.929 -0.558 . . . . 0.0 110.36 177.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -57.14 -39.74 75.78 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 123.561 0.538 . . . . 0.0 110.864 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.496 ' HB3' ' HE3' ' B' ' 26' ' ' MET . . . -58.73 -56.13 26.1 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 173.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.462 HG22 ' HD3' ' A' ' 46' ' ' LYS . 87.7 mt -57.63 -24.64 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 123.519 0.728 . . . . 0.0 111.981 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' HA ' ' HG2' ' A' ' 46' ' ' LYS . 23.3 mm-40 -66.78 -28.75 68.64 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.916 0.486 . . . . 0.0 110.569 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -55.56 -43.47 75.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 123.651 0.595 . . . . 0.0 112.109 165.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.504 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.7 mm -66.13 -41.02 88.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-O 121.573 0.701 . . . . 0.0 109.148 -172.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.532 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 6.6 mmmm -61.69 -22.21 65.14 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 114.76 -1.109 . . . . 0.0 113.277 -174.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 16.2 mmt180 -77.31 -63.77 1.29 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.195 -172.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -153.26 15.5 0.53 Allowed 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 122.366 0.266 . . . . 0.0 111.693 -169.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.504 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 21.7 t -67.2 -33.73 76.01 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -174.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -60.97 -26.34 67.48 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.85 0.46 . . . . 0.0 111.914 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.72 -4.03 39.8 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-O 119.619 -0.545 . . . . 0.0 113.878 175.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.26 140.25 58.7 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.689 0.796 . . . . 0.0 110.627 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.8 154.74 41.44 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 117.782 0.264 . . . . 0.0 110.421 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.7 m -115.81 99.88 7.61 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.238 0.615 . . . . 0.0 109.775 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.0 t -99.54 127.67 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.687 0.795 . . . . 0.0 109.724 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.439 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 13.6 t70 -104.08 112.28 25.22 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.205 0.602 . . . . 0.0 109.587 173.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.37 -20.6 28.03 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.283 1.433 . . . . 0.0 112.271 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.599 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 10.3 t -92.89 15.94 13.68 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.582 0.706 . . . . 0.0 111.441 -171.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.477 0.918 0 C-N-CA 123.22 0.608 . . . . 0.0 109.961 166.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.3 ttm . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.17 178.52 10.24 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.824 0.85 . . . . 0.0 111.311 177.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.65 178.23 7.46 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 123.422 0.689 . . . . 0.0 112.029 -174.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -100.49 120.11 39.5 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.014 1.326 . . . . 0.0 109.226 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.93 111.05 23.43 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 28.4 mt -103.11 116.08 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.599 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 21.1 p90 -139.88 -177.79 5.14 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -122.75 154.23 38.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 166.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -87.43 160.21 18.4 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.147 1.379 . . . . 0.0 108.263 175.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.555 ' HB2' ' HZ1' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -45.64 -34.24 3.34 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.794 1.638 . . . . 0.0 113.165 176.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.37 4.46 2.93 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.189 0.996 . . . . 0.0 112.894 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.81 34.89 88.68 Favored Glycine 0 C--N 1.348 1.234 0 C-N-CA 123.835 0.731 . . . . 0.0 112.504 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.45 130.84 55.47 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.114 0.566 . . . . 0.0 109.889 -174.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -84.72 127.86 34.32 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -173.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -128.18 135.04 49.18 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 175.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -121.92 131.02 53.8 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 166.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.529 ' HD2' HG23 ' B' ' 25' ' ' THR . 24.6 mtm180 -112.42 165.3 12.33 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 123.964 0.906 . . . . 0.0 109.216 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.642 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 16.7 t80 -122.12 133.31 54.76 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 171.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -98.1 -178.96 4.23 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.854 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.31 162.3 32.19 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.043 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -53.35 -34.41 57.45 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.706 1.202 . . . . 0.0 113.567 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -83.18 -4.63 58.59 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.423 0.689 . . . . 0.0 111.291 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.31 47.35 6.98 Favored Glycine 0 C--N 1.344 0.985 0 C-N-CA 123.451 0.548 . . . . 0.0 112.875 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -123.47 152.97 41.13 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.388 0.675 . . . . 0.0 109.582 174.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.529 HG23 ' HD2' ' B' ' 17' ' ' ARG . 63.6 m -94.48 144.19 25.78 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.293 0.637 . . . . 0.0 109.437 174.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.642 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.9 ppp? -121.17 -30.69 4.28 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.547 -175.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . 0.47 ' HD2' ' HE1' ' B' ' 26' ' ' MET . 3.7 p90 -138.17 149.09 45.52 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.539 0.685 . . . . 0.0 110.784 167.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.3 m -123.15 132.53 54.11 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 113.404 -1.726 . . . . 0.0 106.544 170.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.419 ' HG ' ' HB2' ' A' ' 27' ' ' PHE . 46.6 t -112.72 164.77 12.97 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.052 0.541 . . . . 0.0 109.575 -174.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -77.83 2.34 17.52 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.671 0.788 . . . . 0.0 111.649 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.38 -6.84 59.41 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-O 119.901 -0.388 . . . . 0.0 113.964 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.8 t80 78.08 -51.48 0.5 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.68 1.992 . . . . 0.0 111.535 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -165.28 -58.02 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.733 0.813 . . . . 0.0 110.342 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.405 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -145.7 -169.88 3.33 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.886 0.874 . . . . 0.0 108.642 -174.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.562 ' NZ ' HG21 ' A' ' 58' ' ' THR . 17.9 ttmm -65.49 -47.72 75.08 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.462 0.574 . . . . 0.0 110.477 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.66 -44.2 73.07 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.933 0.493 . . . . 0.0 110.683 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.405 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 6.3 m -72.11 -28.89 63.58 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.01 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.35 -55.66 14.85 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.624 0.77 . . . . 0.0 110.778 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 mp -60.01 -47.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 122.883 0.473 . . . . 0.0 110.638 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -58.23 -39.22 78.5 Favored 'General case' 0 C--O 1.258 1.508 0 O-C-N 123.582 0.551 . . . . 0.0 110.679 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.48 ' HB3' ' HE2' ' A' ' 26' ' ' MET . . . -59.28 -56.14 25.91 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 173.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.453 HG22 ' HD3' ' B' ' 46' ' ' LYS . 88.4 mt -57.32 -24.81 22.19 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 123.583 0.753 . . . . 0.0 111.895 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.546 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 46.5 mt-10 -67.04 -28.15 67.99 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 122.719 0.408 . . . . 0.0 110.819 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 22.3 m -55.65 -43.46 76.27 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 123.443 0.465 . . . . 0.0 112.036 165.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.496 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.8 mm -66.5 -40.82 87.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -172.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.546 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.6 mmmm -62.19 -22.02 65.58 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 114.869 -1.06 . . . . 0.0 113.446 -174.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 26.4 mmm180 -76.21 -65.82 0.87 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.894 -172.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -151.59 14.98 0.67 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.035 0.534 . . . . 0.0 111.86 -169.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.496 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 19.8 t -67.23 -33.41 75.3 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -173.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -61.16 -26.62 67.82 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.878 0.471 . . . . 0.0 112.031 172.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.32 -4.4 40.84 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-O 119.377 -0.679 . . . . 0.0 113.848 175.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.37 139.54 58.78 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.866 0.866 . . . . 0.0 110.562 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.62 154.13 42.14 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 117.881 0.31 . . . . 0.0 110.558 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 58.6 m -115.45 100.13 7.87 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.096 0.558 . . . . 0.0 109.818 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -99.24 127.77 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.949 0.899 . . . . 0.0 109.703 -177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.498 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 4.5 t70 -103.52 112.51 25.45 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.234 1.014 . . . . 0.0 109.769 172.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.11 -21.7 24.53 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 124.868 1.267 . . . . 0.0 113.001 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.59 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.7 t -91.6 -18.72 23.61 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 119.417 1.008 . . . . 0.0 113.065 -168.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.0 p . . . . . 0 N--CA 1.501 2.125 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -174.286 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 ttm . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -155.1 175.42 13.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.613 0.765 . . . . 0.0 110.466 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -162.23 -179.87 7.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.204 0.526 . . . . 0.0 112.131 -172.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.4 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 89.3 m-85 -99.34 120.49 39.66 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.643 1.177 . . . . 0.0 110.486 176.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -94.77 107.87 19.88 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.325 0.65 . . . . 0.0 110.291 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 43.6 mt -99.29 123.67 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.492 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.6 p90 -155.02 -177.41 6.51 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 120.791 0.329 . . . . 0.0 110.406 173.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -115.06 145.7 42.04 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 172.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.454 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 15.6 t70 -79.13 162.53 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -48.77 -35.15 13.64 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.973 1.309 . . . . 0.0 111.765 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.414 ' HB2' ' HG3' ' A' ' 13' ' ' GLU . . . -74.7 7.16 3.24 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.005 0.922 . . . . 0.0 112.937 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.35 77.13 Favored Glycine 0 C--N 1.342 0.904 0 C-N-CA 124.258 0.932 . . . . 0.0 113.156 -176.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 46.7 mt-10 -93.76 95.51 9.19 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 116.817 0.309 . . . . 0.0 111.188 -168.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -54.66 133.77 46.9 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.125 0.488 . . . . 0.0 111.261 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -156.28 138.18 14.39 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 126.004 1.721 . . . . 0.0 108.822 -172.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -114.66 138.59 50.5 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.531 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 81.8 mtp180 -118.21 161.9 19.13 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.931 0.893 . . . . 0.0 108.735 -176.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.622 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 14.2 t80 -124.31 132.27 53.55 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -99.38 -179.4 4.21 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.978 -172.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -134.56 157.31 46.88 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.094 1.358 . . . . 0.0 107.752 177.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.5 p -51.21 -26.89 7.68 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -91.19 13.12 17.97 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.015 0.926 . . . . 0.0 111.897 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.34 16.39 77.23 Favored Glycine 0 C--N 1.35 1.311 0 C-N-CA 123.322 0.487 . . . . 0.0 113.444 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 22.1 mm-40 -81.87 155.56 25.28 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.565 0.746 . . . . 0.0 109.902 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 m -117.95 147.85 42.76 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.622 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -124.01 -12.89 7.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.806 0.843 . . . . 0.0 111.814 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' A' ' 29' ' ' SER . 6.6 p90 -159.51 160.72 34.92 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.95 0.881 . . . . 0.0 112.66 164.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.531 ' HA ' ' HG2' ' A' ' 17' ' ' ARG . 40.0 t -125.03 140.15 53.16 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 112.543 -2.117 . . . . 0.0 106.15 166.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.431 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 46.0 t -98.71 177.51 5.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.77 3.81 54.96 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 122.816 0.447 . . . . 0.0 110.131 168.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.57 -12.89 57.92 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 115.077 0.791 . . . . 0.0 115.077 170.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 t80 81.71 -57.31 0.25 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.863 1.665 . . . . 0.0 110.494 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -154.96 -56.02 0.1 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.048 0.539 . . . . 0.0 110.011 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.97 -172.17 3.81 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.152 0.981 . . . . 0.0 109.124 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.7 ' HD3' HG21 ' B' ' 58' ' ' THR . 22.5 pttp -71.51 -42.56 67.86 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 119.041 0.837 . . . . 0.0 111.886 -174.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.07 96.0 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.198 0.523 . . . . 0.0 110.606 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 m -66.33 -24.27 66.5 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.101 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.71 -40.82 65.88 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.151 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 mp -57.15 -49.8 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 118.728 0.694 . . . . 0.0 109.903 170.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -57.61 -39.49 77.01 Favored 'General case' 0 C--O 1.254 1.296 0 O-C-N 123.719 0.637 . . . . 0.0 111.171 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB3' ' HE1' ' B' ' 26' ' ' MET . . . -62.73 -52.05 64.77 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.254 174.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.505 ' HA ' HG12 ' A' ' 45' ' ' ILE . 84.0 mt -60.25 -23.8 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 123.083 0.553 . . . . 0.0 111.745 178.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 54.7 mt-10 -65.94 -34.52 78.3 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 6.0 m -56.17 -40.33 73.73 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.608 0.568 . . . . 0.0 111.722 169.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.543 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 5.5 mm -66.88 -39.7 84.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 123.729 0.643 . . . . 0.0 109.667 -173.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.529 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 9.7 mmmm -63.4 -27.81 69.56 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.725 -176.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 43' ' ' GLU . 93.9 mtt180 -71.09 -54.15 12.14 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.058 -0.974 . . . . 0.0 113.316 -171.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -164.13 15.62 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.543 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.9 t -68.54 -33.25 73.77 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 121.76 -0.588 . . . . 0.0 112.038 -176.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -65.14 -15.58 62.56 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.85 -6.72 28.15 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.434 -0.648 . . . . 0.0 114.011 171.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.56 129.89 40.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.867 0.867 . . . . 0.0 112.491 -176.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.29 155.1 25.8 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.564 0.746 . . . . 0.0 111.727 -176.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.9 m -111.0 100.71 9.36 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.061 0.544 . . . . 0.0 110.391 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.4 t -100.17 124.83 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.89 0.876 . . . . 0.0 110.153 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.486 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.9 t70 -104.1 109.91 21.88 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.115 0.966 . . . . 0.0 110.113 174.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -86.82 -18.34 31.22 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.671 1.188 . . . . 0.0 112.524 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.588 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 14.0 t -91.81 20.16 5.88 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.224 0.535 . . . . 0.0 112.087 -172.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 C-N-CA 122.681 0.392 . . . . 0.0 110.327 165.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttm . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -69.47 169.02 13.31 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.524 0.678 . . . . 0.0 111.961 172.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.47 179.59 8.49 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.534 -169.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.439 ' HZ ' HG22 ' B' ' 45' ' ' ILE . 76.3 m-85 -98.89 119.81 38.28 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.762 1.225 . . . . 0.0 110.562 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -94.39 108.02 19.95 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.22 0.608 . . . . 0.0 109.832 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.486 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 47.7 mt -99.41 124.23 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.588 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 30.2 p90 -155.27 -177.47 6.57 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 173.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.419 HE21 ' HA2' ' B' ' 12' ' ' GLY . 10.5 pt20 -115.05 145.05 42.7 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 172.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.538 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 23.6 t70 -78.41 162.43 26.43 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.827 0.851 . . . . 0.0 108.812 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -47.98 -34.48 9.35 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.752 1.221 . . . . 0.0 112.872 177.023 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.492 ' N ' ' HD2' ' B' ' 10' ' ' LYS . . . -76.29 7.41 4.32 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.079 0.952 . . . . 0.0 112.601 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . 0.419 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 77.06 19.66 76.97 Favored Glycine 0 C--N 1.343 0.923 0 C-N-CA 124.298 0.952 . . . . 0.0 113.324 -176.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.538 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 39.8 mt-10 -94.27 95.76 9.14 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.769 0.284 . . . . 0.0 111.443 -169.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -55.36 131.18 45.1 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.491 0.494 . . . . 0.0 111.184 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -152.61 138.86 18.38 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 126.352 1.861 . . . . 0.0 108.222 -173.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -114.3 138.17 50.85 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 168.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.577 ' HE ' HG23 ' B' ' 25' ' ' THR . 82.8 mtp180 -116.32 161.81 18.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.372 1.069 . . . . 0.0 108.575 -177.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.614 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 13.4 t80 -124.1 132.48 53.66 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -99.37 -179.57 4.26 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.948 -172.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' B' ' 24' ' ' GLU . . . -134.09 157.36 46.35 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.072 1.349 . . . . 0.0 107.71 176.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 16.2 m -51.58 -26.57 8.97 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.614 1.166 . . . . 0.0 113.409 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.434 ' HB2' ' HG2' ' B' ' 24' ' ' GLU . 64.0 m-20 -91.15 12.88 18.63 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.058 0.943 . . . . 0.0 111.749 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.21 16.42 77.0 Favored Glycine 0 C--N 1.35 1.317 0 C-N-CA 123.56 0.6 . . . . 0.0 113.689 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.529 ' HB2' ' HB2' ' B' ' 20' ' ' ALA . 20.8 mm-40 -81.68 155.55 25.51 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.675 0.79 . . . . 0.0 109.307 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.577 HG23 ' HE ' ' B' ' 17' ' ' ARG . 22.4 m -117.69 148.03 42.37 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 171.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.614 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.5 ppp? -123.87 -12.65 7.52 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.699 0.8 . . . . 0.0 111.82 -177.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . 0.413 ' HE2' ' HB2' ' B' ' 29' ' ' SER . 6.8 p90 -159.96 160.74 33.77 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.858 0.837 . . . . 0.0 112.51 164.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -125.1 140.43 52.89 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 112.496 -2.138 . . . . 0.0 106.045 166.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.413 ' HB2' ' HE2' ' B' ' 27' ' ' PHE . 43.8 t -99.17 178.04 5.03 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -93.58 3.93 54.74 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.05 -13.39 54.65 Favored Glycine 0 C--N 1.363 2.054 0 N-CA-C 115.365 0.906 . . . . 0.0 115.365 170.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 34.1 t80 81.06 -56.66 0.29 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.007 1.723 . . . . 0.0 110.748 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -154.76 -55.89 0.1 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.071 0.548 . . . . 0.0 109.93 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.38 -172.29 3.81 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.995 0.918 . . . . 0.0 108.947 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -42.17 67.61 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 119.019 0.827 . . . . 0.0 111.865 -174.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.99 95.67 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.14 0.495 . . . . 0.0 110.589 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 16.5 m -66.72 -23.96 66.17 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.245 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.26 -40.49 64.56 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.028 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 mp -56.99 -48.9 80.89 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 CA-C-N 118.857 0.753 . . . . 0.0 110.092 170.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -59.41 -39.19 82.65 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.687 0.756 . . . . 0.0 110.637 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.521 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -62.79 -52.09 64.53 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.252 174.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.494 ' HA ' HG12 ' B' ' 45' ' ' ILE . 87.2 mt -60.05 -24.09 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.106 0.563 . . . . 0.0 111.604 177.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 44.8 mt-10 -65.95 -34.16 77.48 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 119.16 -0.447 . . . . 0.0 109.857 177.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 21.7 m -56.3 -40.47 74.37 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.643 0.59 . . . . 0.0 111.676 169.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.552 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.0 mm -66.48 -39.89 85.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.755 -174.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.1 mmmm -63.63 -27.73 69.43 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.398 -176.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 19.2 mmt180 -71.19 -54.17 11.92 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.58 -170.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -164.3 15.57 0.05 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -170.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.552 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 13.6 t -68.63 -33.3 73.78 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.552 -0.718 . . . . 0.0 112.121 -177.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -65.7 -15.25 62.62 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 172.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.37 -7.38 28.35 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-O 119.471 -0.627 . . . . 0.0 114.045 171.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.32 129.58 40.18 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.115 0.966 . . . . 0.0 112.427 -175.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.48 154.46 24.44 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.01 0.924 . . . . 0.0 111.8 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.6 m -111.07 100.38 9.07 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.199 0.6 . . . . 0.0 110.311 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 58.5 t -99.72 125.62 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.741 0.816 . . . . 0.0 110.286 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.451 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 8.8 t70 -104.88 110.39 22.74 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.529 0.731 . . . . 0.0 109.867 174.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.46 -19.49 29.51 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.579 1.152 . . . . 0.0 112.426 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.7 HG21 ' HD3' ' A' ' 35' ' ' LYS . 12.3 t -98.14 15.87 22.98 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.178 0.514 . . . . 0.0 111.139 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 166.846 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.2 ttm . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -154.19 176.08 12.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.054 0.942 . . . . 0.0 110.455 175.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.526 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -159.96 176.66 11.61 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.797 -173.571 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -100.79 119.58 38.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.489 1.116 . . . . 0.0 109.346 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -94.93 112.91 24.59 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.408 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 51.7 mt -106.51 121.55 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.584 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 47.0 p90 -158.1 -175.85 5.58 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.4 0.619 . . . . 0.0 110.792 177.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -119.06 145.84 45.57 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 171.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -104.26 -179.03 3.83 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -35.45 1.78 Allowed 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 126.085 1.754 . . . . 0.0 114.815 -173.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.28 9.73 4.35 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.549 0.739 . . . . 0.0 112.115 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.41 24.53 63.83 Favored Glycine 0 C--N 1.357 1.717 0 C-N-CA 123.899 0.761 . . . . 0.0 112.047 -169.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -98.78 134.49 41.6 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -168.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.446 ' O ' ' HD3' ' A' ' 15' ' ' ARG . 57.1 m-85 -92.24 130.1 38.03 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -172.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -139.25 137.11 35.64 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.774 1.63 . . . . 0.0 108.511 -179.409 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -118.69 133.37 55.9 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 167.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -127.03 158.13 37.77 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.953 0.901 . . . . 0.0 108.982 -174.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.662 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 14.1 t80 -116.48 132.42 56.68 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -100.3 179.96 4.3 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.64 -1.163 . . . . 0.0 111.147 -171.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.41 160.08 36.14 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.434 1.094 . . . . 0.0 108.666 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.1 m -44.38 -37.2 3.22 Favored 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -102.76 16.15 27.31 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 122.655 0.382 . . . . 0.0 111.873 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.23 12.28 65.68 Favored Glycine 0 N--CA 1.472 1.072 0 N-CA-C 114.853 0.701 . . . . 0.0 114.853 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -76.91 157.91 31.06 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.989 0.516 . . . . 0.0 110.512 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.9 m -120.27 139.41 52.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.155 0.582 . . . . 0.0 109.441 174.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.662 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.8 ppp? -115.84 -24.78 8.02 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.779 0.832 . . . . 0.0 111.722 -174.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.425 ' HD1' ' SD ' ' A' ' 26' ' ' MET . 3.1 p90 -147.12 154.62 41.34 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.5 0.667 . . . . 0.0 111.241 168.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.5 t -127.08 135.03 50.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 166.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 35.8 t -93.48 -175.72 3.88 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -87.94 -4.68 58.8 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 171.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.45 -18.25 55.26 Favored Glycine 0 C--N 1.356 1.669 0 C-N-CA 123.532 0.587 . . . . 0.0 113.473 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.2 t80 81.81 -51.19 0.24 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.218 1.807 . . . . 0.0 110.925 174.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -162.2 -53.97 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.859 0.864 . . . . 0.0 109.489 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.1 -171.67 3.14 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.15 0.98 . . . . 0.0 108.462 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.37 -40.05 74.22 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 118.736 0.698 . . . . 0.0 112.242 -173.682 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' N ' ' HD3' ' A' ' 35' ' ' LYS . . . -60.76 -42.93 98.4 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 118.135 0.425 . . . . 0.0 110.942 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -67.95 -25.98 65.72 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.088 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.3 -47.06 52.82 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 123.741 0.65 . . . . 0.0 110.875 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.424 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.1 mp -53.51 -53.27 25.98 Favored 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 123.17 0.588 . . . . 0.0 110.52 171.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -61.21 -36.27 79.45 Favored 'General case' 0 C--O 1.255 1.394 0 O-C-N 123.662 0.601 . . . . 0.0 111.764 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -61.1 -54.15 48.14 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 174.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.404 ' HA ' HG12 ' A' ' 45' ' ' ILE . 94.3 mt -60.08 -22.0 23.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 123.143 0.577 . . . . 0.0 112.069 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 44.7 mt-10 -71.12 -27.42 63.56 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 122.111 -0.368 . . . . 0.0 110.049 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 39.1 m -55.92 -41.69 74.95 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 123.727 0.642 . . . . 0.0 112.028 165.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.432 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 4.3 mm -68.9 -40.08 80.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -173.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.4 mmmm -64.51 -18.68 65.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.073 0.949 . . . . 0.0 113.255 -176.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 28.0 mmt180 -70.49 -69.83 0.34 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 124.036 0.835 . . . . 0.0 111.709 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -154.96 16.28 0.42 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.536 0.734 . . . . 0.0 110.502 -170.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.432 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.7 t -64.78 -31.86 73.28 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.535 -0.728 . . . . 0.0 112.655 -174.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.84 -25.72 68.29 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.783 0.433 . . . . 0.0 111.781 172.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.41 4.82 33.18 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.835 -0.425 . . . . 0.0 113.603 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.6 174.82 0.7 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.691 0.796 . . . . 0.0 112.091 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.569 ' HB2' ' HB3' ' B' ' 3' ' ' LYS . 10.1 m-20 -100.63 153.94 19.0 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.9 m -115.86 108.03 15.78 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.099 0.56 . . . . 0.0 109.697 175.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -109.12 127.74 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.245 1.018 . . . . 0.0 109.731 -177.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -107.29 110.03 21.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.314 0.646 . . . . 0.0 109.562 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.484 ' HB2' ' HB3' ' B' ' 7' ' ' TYR . 2.6 mm? -83.16 -19.4 36.69 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.563 1.145 . . . . 0.0 111.985 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.485 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.5 t -88.38 25.07 1.74 Allowed 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -172.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.473 0.697 0 C-N-CA 124.805 1.242 . . . . 0.0 108.564 166.447 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.4 ttt . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -76.5 177.9 7.05 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.519 0.728 . . . . 0.0 112.552 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . 0.569 ' HB3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -164.17 177.01 8.71 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.541 -171.36 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -100.71 119.6 38.84 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.466 1.107 . . . . 0.0 109.32 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -95.11 112.44 24.14 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mt -106.16 121.0 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.485 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 27.3 p90 -158.24 -175.97 5.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.45 0.643 . . . . 0.0 111.546 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.412 HE21 ' HA2' ' B' ' 12' ' ' GLY . 13.2 pt20 -118.66 146.88 44.34 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 172.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -106.3 179.65 4.21 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -43.64 -35.39 1.76 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.086 1.754 . . . . 0.0 114.844 -172.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.27 10.18 3.92 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.437 0.695 . . . . 0.0 112.104 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . 0.412 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 61.55 24.68 64.3 Favored Glycine 0 C--N 1.356 1.663 0 C-N-CA 123.79 0.71 . . . . 0.0 112.061 -169.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -99.09 133.35 43.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.352 0.661 . . . . 0.0 109.502 -168.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -91.84 130.0 37.69 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -172.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.87 137.33 34.81 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.495 1.518 . . . . 0.0 108.816 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -118.49 133.12 56.12 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 167.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.27 158.25 37.69 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.992 0.917 . . . . 0.0 110.028 -175.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.636 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 15.8 t80 -116.4 132.09 56.77 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -100.5 179.51 4.42 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.062 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.76 159.33 37.61 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.592 1.157 . . . . 0.0 108.899 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 37.2 m -43.81 -37.01 2.54 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -102.9 16.26 27.11 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 118.184 0.447 . . . . 0.0 111.684 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.45 11.75 65.98 Favored Glycine 0 N--CA 1.474 1.218 0 N-CA-C 114.541 0.576 . . . . 0.0 114.541 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -76.24 158.23 31.81 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 117.166 0.483 . . . . 0.0 110.429 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -120.48 139.21 53.21 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.636 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.8 ppp? -115.76 -24.67 8.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.921 0.888 . . . . 0.0 111.779 -174.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . 0.428 ' HD1' ' SD ' ' B' ' 26' ' ' MET . 3.2 p90 -147.18 154.45 41.08 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.373 0.606 . . . . 0.0 111.191 167.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.5 t -126.45 135.59 51.57 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 166.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 32.6 t -93.62 -175.66 3.84 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -177.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -88.67 -4.16 58.61 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 171.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.4 -17.76 56.49 Favored Glycine 0 C--N 1.359 1.854 0 CA-C-O 119.562 -0.577 . . . . 0.0 113.359 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 11.0 t80 81.34 -51.19 0.28 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 126.25 1.82 . . . . 0.0 110.704 174.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -162.43 -53.67 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.792 0.837 . . . . 0.0 109.514 173.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.66 -171.66 3.02 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' B' ' 36' ' ' ALA . 0.1 OUTLIER -70.54 -39.84 73.76 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 118.64 0.654 . . . . 0.0 112.127 -173.302 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.46 ' N ' ' HD3' ' B' ' 35' ' ' LYS . . . -60.55 -43.21 97.49 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 118.251 0.478 . . . . 0.0 110.968 177.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 49.4 m -68.04 -25.7 65.5 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.239 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.31 -47.07 52.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.186 0.595 . . . . 0.0 110.903 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -53.89 -52.72 33.09 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 C-N-CA 123.078 0.551 . . . . 0.0 110.378 172.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -61.37 -36.32 79.89 Favored 'General case' 0 C--O 1.257 1.448 0 C-N-CA 123.319 0.648 . . . . 0.0 111.743 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -61.17 -54.21 47.3 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 174.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.86 -22.8 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.387 0.675 . . . . 0.0 112.046 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.475 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 43.2 mt-10 -69.85 -28.12 65.41 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 25.0 m -56.16 -41.39 75.38 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.726 0.641 . . . . 0.0 111.803 165.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.43 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.8 mm -69.14 -39.61 79.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.475 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.9 mmmm -65.64 -18.45 65.34 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.757 -176.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 51.6 mmt-85 -69.29 -71.49 0.22 Allowed 'General case' 0 N--CA 1.478 0.933 0 O-C-N 124.039 0.837 . . . . 0.0 111.532 -176.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -153.86 16.46 0.5 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.523 0.729 . . . . 0.0 110.784 -170.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.7 t -65.55 -31.31 72.29 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.08 -25.6 68.18 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 122.691 0.396 . . . . 0.0 111.674 172.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.57 5.13 32.95 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-O 119.525 -0.597 . . . . 0.0 113.638 174.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.21 175.03 0.59 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.673 0.789 . . . . 0.0 112.084 172.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 32.4 t70 -101.59 153.86 19.37 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.9 m -115.85 108.18 15.97 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 40.7 t -108.72 127.76 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.445 1.098 . . . . 0.0 109.704 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.408 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.9 t70 -107.14 110.23 22.27 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.544 0.738 . . . . 0.0 109.549 173.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 7' ' ' TYR . 2.5 mm? -83.79 -21.42 32.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.674 1.19 . . . . 0.0 112.487 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.584 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 12.8 t -86.66 8.43 22.41 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.869 0.758 . . . . 0.0 111.686 -169.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 169.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.47 ' HE3' ' HA ' ' B' ' 52' ' ' ALA . 24.4 ttt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -74.18 154.23 39.16 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.346 0.594 . . . . 0.0 111.203 170.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.27 176.67 9.69 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.511 -167.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -100.93 115.41 30.37 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.652 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -93.25 112.84 24.89 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.461 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 50.4 mt -101.01 109.59 25.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.643 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 32.9 p90 -132.79 -179.54 5.53 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 7.9 pt20 -123.29 143.78 49.85 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 163.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.19 159.32 27.43 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.12 0.968 . . . . 0.0 108.661 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.43 -33.04 3.64 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 125.674 1.59 . . . . 0.0 113.091 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.39 9.46 2.63 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.38 1.072 . . . . 0.0 112.256 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.72 26.54 74.44 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 124.041 0.829 . . . . 0.0 112.875 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 56.8 mt-10 -105.1 102.78 12.26 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.078 0.551 . . . . 0.0 109.711 -172.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.453 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 67.9 m-85 -54.12 128.94 32.9 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.99 0.424 . . . . 0.0 112.044 174.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.494 ' NH1' ' HA ' ' A' ' 30' ' ' GLU . 15.9 mmt180 -137.56 138.41 39.57 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.833 1.653 . . . . 0.0 108.388 -176.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -123.74 131.72 53.66 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 170.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -114.93 169.06 9.37 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.484 0.714 . . . . 0.0 110.044 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.576 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.2 t80 -123.98 133.61 53.65 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 171.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -101.91 -177.56 3.45 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.519 -1.219 . . . . 0.0 111.215 -172.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.538 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -132.17 159.92 37.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.979 1.312 . . . . 0.0 108.044 174.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.6 p -48.97 -31.98 8.36 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.404 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 86.3 m-20 -86.81 10.88 14.62 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.682 0.793 . . . . 0.0 112.381 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.91 12.55 83.87 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-O 119.89 -0.394 . . . . 0.0 113.086 -175.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 33.1 mm-40 -75.91 157.33 33.35 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.57 0.748 . . . . 0.0 110.056 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 m -119.21 150.65 39.71 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.576 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 2.1 ppp? -128.51 -29.82 2.39 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.457 0.703 . . . . 0.0 111.781 -176.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.445 ' HD2' ' HE2' ' A' ' 26' ' ' MET . 4.4 p90 -141.34 154.55 45.74 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.558 0.617 . . . . 0.0 111.029 167.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.5 t -130.67 134.51 47.0 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 105.712 -1.958 . . . . 0.0 105.712 165.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 35.1 t -95.11 176.57 6.18 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.241 0.617 . . . . 0.0 109.637 -173.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.494 ' HA ' ' NH1' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -89.84 0.95 56.73 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.695 0.798 . . . . 0.0 110.884 171.145 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 88.24 -11.07 68.74 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-O 119.727 -0.485 . . . . 0.0 113.996 173.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 t80 78.38 -58.17 0.45 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.775 1.63 . . . . 0.0 111.458 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -158.85 -59.18 0.07 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.428 0.691 . . . . 0.0 110.148 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.402 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -151.48 -172.44 4.21 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.193 0.997 . . . . 0.0 108.482 -175.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -69.59 -47.96 61.76 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 118.918 0.781 . . . . 0.0 111.238 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.6 -41.87 77.75 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 121.346 0.593 . . . . 0.0 110.54 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.1 m -68.1 -29.23 68.11 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.056 176.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.18 64.23 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 123.596 0.758 . . . . 0.0 110.688 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.3 mp -55.64 -51.46 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.004 0.522 . . . . 0.0 110.718 172.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -59.44 -36.84 76.7 Favored 'General case' 0 C--O 1.256 1.395 0 C-N-CA 123.231 0.612 . . . . 0.0 111.443 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.5 ' HB2' ' HE1' ' B' ' 26' ' ' MET . . . -60.38 -55.9 27.92 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.352 172.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.91 -27.11 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.401 0.68 . . . . 0.0 111.623 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 45.8 mt-10 -65.1 -30.8 71.77 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 119.353 -0.356 . . . . 0.0 110.674 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 19.7 m -54.22 -41.19 68.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 123.593 0.558 . . . . 0.0 111.678 168.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.522 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.2 mm -69.37 -43.65 80.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.514 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 9.2 mmmm -60.95 -25.24 66.67 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.247 1.019 . . . . 0.0 112.816 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 12.5 mmm180 -61.57 -67.14 0.44 Allowed 'General case' 0 N--CA 1.48 1.053 0 O-C-N 124.307 1.004 . . . . 0.0 111.174 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -165.0 17.79 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.557 0.343 . . . . 0.0 111.22 -168.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.522 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.9 t -63.48 -31.98 73.3 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -172.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.36 -30.77 69.77 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.163 0.585 . . . . 0.0 111.554 172.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.5 0.56 46.28 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-O 119.239 -0.756 . . . . 0.0 113.732 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.53 ' HA ' ' HE1' ' B' ' 1' ' ' MET . . . -63.13 163.06 10.67 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 117.675 0.738 . . . . 0.0 111.326 174.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -86.76 158.73 19.33 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 122.177 -0.327 . . . . 0.0 110.145 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.8 m -119.74 103.48 9.41 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.365 0.666 . . . . 0.0 109.759 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 t -98.62 133.38 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.087 0.955 . . . . 0.0 110.131 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.531 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 7.7 p-10 -102.98 105.65 16.02 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.012 0.925 . . . . 0.0 110.17 173.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.98 -32.28 39.81 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.295 1.038 . . . . 0.0 111.915 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.602 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.0 t -87.36 -12.42 46.43 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.788 0.435 . . . . 0.0 111.889 -167.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.403 HG23 HG23 ' A' ' 58' ' ' THR . 12.0 p . . . . . 0 N--CA 1.479 1.021 0 C-N-CA 123.548 0.739 . . . . 0.0 109.819 -171.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.53 ' HE1' ' HA ' ' A' ' 52' ' ' ALA . 22.9 ttt . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -79.95 146.12 32.24 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.49 0.662 . . . . 0.0 110.111 170.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.68 176.87 10.5 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.735 -163.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -100.55 115.22 29.62 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.265 1.026 . . . . 0.0 109.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -93.44 112.69 24.66 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.531 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 47.3 mt -101.13 109.41 25.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.602 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 31.0 p90 -132.19 -178.87 5.1 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' B' ' 14' ' ' TYR . 7.9 pt20 -123.33 143.44 50.09 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 163.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -78.61 158.97 28.31 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.464 1.106 . . . . 0.0 108.727 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -46.07 -32.77 3.05 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.596 1.558 . . . . 0.0 113.265 177.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.421 ' N ' ' HD3' ' B' ' 10' ' ' LYS . . . -76.66 9.24 2.91 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 124.58 1.152 . . . . 0.0 112.371 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.67 26.51 74.43 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 123.893 0.759 . . . . 0.0 112.839 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.428 ' HB3' ' NH1' ' B' ' 15' ' ' ARG . 40.8 mt-10 -104.72 103.57 13.22 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 119.133 -0.46 . . . . 0.0 109.965 -173.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.436 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 79.7 m-85 -54.49 128.82 33.64 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 121.102 0.477 . . . . 0.0 111.806 174.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' B' ' 29' ' ' SER . 1.9 mpt_? -136.78 138.71 41.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.236 1.815 . . . . 0.0 108.413 -176.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -124.06 131.22 53.53 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 169.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.504 ' HG3' ' HE1' ' B' ' 7' ' ' TYR . 28.4 mtm180 -113.37 169.08 9.21 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.931 0.892 . . . . 0.0 109.731 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.611 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 15.9 t80 -124.67 133.75 53.11 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 169.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -102.22 -177.72 3.49 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 114.519 -1.218 . . . . 0.0 111.271 -171.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.542 ' HB1' ' HB2' ' B' ' 24' ' ' GLU . . . -132.07 159.63 38.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.751 1.22 . . . . 0.0 108.119 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -48.55 -32.13 7.55 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.535 1.134 . . . . 0.0 113.757 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -86.3 10.31 15.22 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.791 0.836 . . . . 0.0 112.487 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.15 12.61 83.98 Favored Glycine 0 C--N 1.346 1.106 0 C-N-CA 123.031 0.348 . . . . 0.0 113.22 -175.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.542 ' HB2' ' HB1' ' B' ' 20' ' ' ALA . 30.5 mm-40 -76.35 156.65 33.11 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.724 0.81 . . . . 0.0 110.214 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.5 HG21 ' HD2' ' B' ' 17' ' ' ARG . 8.3 m -118.91 150.8 39.28 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.611 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 2.1 ppp? -128.66 -30.1 2.33 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.484 0.714 . . . . 0.0 111.867 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . 0.445 ' HD2' ' HE2' ' B' ' 26' ' ' MET . 3.8 p90 -141.06 154.22 45.85 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.435 0.636 . . . . 0.0 110.997 167.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.9 t -129.62 134.63 47.8 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 165.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' B' ' 15' ' ' ARG . 40.3 t -95.78 177.48 5.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -173.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -91.48 1.89 56.81 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.226 0.61 . . . . 0.0 109.968 172.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 87.33 -10.87 67.4 Favored Glycine 0 C--N 1.352 1.461 0 C-N-CA 123.393 0.52 . . . . 0.0 114.285 174.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 26.7 t80 78.38 -57.99 0.45 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.843 1.657 . . . . 0.0 111.43 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -158.63 -59.3 0.07 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.29 0.636 . . . . 0.0 110.229 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.48 -172.03 4.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.218 1.007 . . . . 0.0 108.612 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -46.87 64.1 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-N 118.93 0.786 . . . . 0.0 111.2 -177.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.57 -42.0 82.18 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.333 0.587 . . . . 0.0 110.516 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.2 m -67.85 -29.28 68.37 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.218 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.36 -46.32 64.33 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 123.631 0.772 . . . . 0.0 110.544 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.69 -51.46 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.175 0.59 . . . . 0.0 110.68 172.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -60.09 -36.29 77.06 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.691 0.62 . . . . 0.0 110.852 -178.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.52 ' HB3' ' HE1' ' A' ' 26' ' ' MET . . . -60.78 -55.5 32.36 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 173.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 80.6 mt -57.11 -26.98 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.354 0.662 . . . . 0.0 111.691 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.526 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 45.0 mt-10 -65.13 -31.37 72.54 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 119.372 -0.347 . . . . 0.0 110.273 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 33.5 m -53.94 -41.19 67.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 123.61 0.569 . . . . 0.0 111.39 169.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.522 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.2 mm -69.42 -43.31 80.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -174.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 9.0 mmmm -61.51 -25.15 67.09 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.25 1.02 . . . . 0.0 112.685 -176.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 62.7 mmt-85 -61.38 -67.08 0.44 Allowed 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.296 0.998 . . . . 0.0 111.075 -177.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -165.13 17.94 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.539 0.336 . . . . 0.0 111.314 -168.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.522 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 22.6 t -63.97 -31.62 72.86 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -173.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.18 -29.72 69.97 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.897 0.479 . . . . 0.0 111.434 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.6 -0.31 46.29 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-O 119.436 -0.647 . . . . 0.0 113.481 177.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.47 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -62.68 163.09 9.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.465 0.706 . . . . 0.0 111.252 174.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -87.3 159.06 18.91 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 38.5 m -120.2 103.16 9.02 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.274 0.63 . . . . 0.0 109.69 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 57.6 t -97.99 132.92 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.245 1.018 . . . . 0.0 110.325 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.461 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 4.8 t70 -102.2 108.13 19.42 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.774 0.829 . . . . 0.0 109.81 172.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.45 -32.22 29.07 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.044 0.938 . . . . 0.0 112.369 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.643 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.3 t -81.95 -2.77 52.52 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -165.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p . . . . . 0 N--CA 1.498 1.968 0 C-N-CA 126.091 1.756 . . . . 0.0 114.887 -177.744 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttm . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -68.05 163.55 22.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.026 0.53 . . . . 0.0 111.155 167.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.476 ' HE2' ' HG2' ' A' ' 5' ' ' GLU . 0.6 OUTLIER -165.2 -179.55 5.69 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.194 -170.077 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.417 ' HZ ' HG23 ' A' ' 45' ' ' ILE . 96.7 m-85 -100.32 114.94 28.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.364 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.476 ' HG2' ' HE2' ' A' ' 3' ' ' LYS . 37.0 mt-10 -94.35 109.77 21.58 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.54 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 30.7 mt -94.25 113.16 28.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.331 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -175.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.696 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 22.1 p90 -136.5 161.23 36.44 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -102.06 145.85 28.74 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 28.3 t70 -78.8 160.7 27.25 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -47.53 -34.53 7.7 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.392 1.477 . . . . 0.0 112.101 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.77 9.03 1.61 Allowed 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.371 1.068 . . . . 0.0 113.022 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.27 29.37 73.19 Favored Glycine 0 C--N 1.351 1.386 0 C-N-CA 124.214 0.912 . . . . 0.0 113.14 -175.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 53.7 mt-10 -95.07 93.26 7.26 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -57.44 120.63 8.56 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 121.681 0.753 . . . . 0.0 111.961 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -136.05 171.59 14.24 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.008 1.723 . . . . 0.0 109.943 -167.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -143.15 141.65 31.24 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 114.558 -1.201 . . . . 0.0 107.861 165.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -117.55 148.14 42.15 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.642 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 12.3 t80 -109.79 130.42 55.52 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -98.87 -178.2 3.88 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.698 -173.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.6 161.93 33.31 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.133 0.973 . . . . 0.0 109.18 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.9 p -54.24 -30.11 49.11 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.12 0.968 . . . . 0.0 113.506 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -83.96 -15.58 47.3 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.437 0.695 . . . . 0.0 111.431 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.36 50.98 3.25 Favored Glycine 0 C--N 1.343 0.939 0 C-N-CA 122.801 0.239 . . . . 0.0 112.7 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -128.0 129.55 46.91 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.8 m -85.84 129.23 34.89 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.642 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.4 ppp? -105.12 -16.86 14.67 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.568 -175.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.443 ' HD1' ' HE2' ' A' ' 26' ' ' MET . 9.9 p90 -157.11 164.72 37.56 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 121.92 0.867 . . . . 0.0 111.15 162.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.5 t -137.28 147.38 45.64 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 112.95 -1.932 . . . . 0.0 107.111 165.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.2 m -78.36 161.04 27.47 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -33.44 74.95 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.706 0.803 . . . . 0.0 111.046 173.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.409 ' HA3' ' HB3' ' A' ' 13' ' ' GLU . . . 114.82 51.35 0.45 Allowed Glycine 0 C--N 1.337 0.603 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.712 -171.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -16.84 -65.8 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -163.56 -66.74 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.955 0.407 . . . . 0.0 111.277 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -149.59 176.37 10.7 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.651 0.78 . . . . 0.0 109.31 -173.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -65.12 -49.58 69.4 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.147 0.579 . . . . 0.0 109.851 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.02 71.36 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.325 0.65 . . . . 0.0 110.999 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.3 m -69.17 -29.74 67.8 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.8 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.64 -48.21 64.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.155 0.582 . . . . 0.0 110.582 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.415 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 mp -58.56 -47.08 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 122.925 0.49 . . . . 0.0 110.669 173.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -55.38 -40.03 70.87 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.565 0.746 . . . . 0.0 111.457 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB3' ' HE3' ' B' ' 26' ' ' MET . . . -62.33 -52.02 65.3 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.935 174.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.406 HD13 HG21 ' B' ' 54' ' ' THR . 61.8 mt -58.76 -28.12 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 122.594 0.358 . . . . 0.0 111.754 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 47.6 mt-10 -66.12 -33.57 76.07 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.459 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 9.3 m -56.83 -39.15 73.7 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.904 0.753 . . . . 0.0 111.693 170.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.9 mm -67.51 -41.47 85.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -176.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.0 mmmm -64.8 -24.9 67.69 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.858 -176.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.525 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 22.0 mmt180 -64.08 -54.26 36.87 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.876 -175.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -173.0 17.43 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -170.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.542 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 20.1 t -65.18 -31.86 73.25 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.62 -0.675 . . . . 0.0 112.802 -175.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -66.19 -19.38 65.81 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 172.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.83 -4.4 34.02 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.217 0.436 . . . . 0.0 113.367 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.92 139.66 56.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.884 0.873 . . . . 0.0 111.083 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -70.61 160.71 32.04 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 122.803 0.441 . . . . 0.0 111.199 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.8 m -117.63 100.12 7.42 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.187 0.595 . . . . 0.0 110.438 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.11 122.54 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.757 1.223 . . . . 0.0 109.78 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.497 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.4 t0 -100.31 112.39 24.73 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.699 0.285 . . . . 0.0 110.965 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' B' ' 5' ' ' GLU . 26.5 mt -81.11 -32.84 33.64 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.998 0.919 . . . . 0.0 111.961 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.594 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 14.6 t -89.01 -3.54 58.69 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 122.718 0.407 . . . . 0.0 111.183 -166.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.24 0.601 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 176.499 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ttt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -65.19 158.1 27.0 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 121.071 0.462 . . . . 0.0 111.749 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.82 179.51 7.04 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.472 -165.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.48 ' HZ ' HG23 ' B' ' 45' ' ' ILE . 86.2 m-85 -100.21 114.59 28.14 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.671 1.188 . . . . 0.0 109.412 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 57' ' ' LEU . 34.3 mt-10 -94.6 109.24 21.17 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.497 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 34.7 mt -93.81 113.2 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 -175.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.594 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 31.2 p90 -137.11 161.83 35.04 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.411 HE21 ' HA2' ' B' ' 12' ' ' GLY . 9.5 pt20 -104.14 143.9 32.3 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 171.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.565 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 31.1 t70 -77.38 160.38 28.81 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 173.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -34.03 4.73 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.465 1.506 . . . . 0.0 112.647 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.8 9.77 2.16 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.511 1.124 . . . . 0.0 112.705 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . 0.411 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 68.07 29.98 73.73 Favored Glycine 0 C--N 1.347 1.14 0 C-N-CA 124.04 0.828 . . . . 0.0 113.088 -176.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.565 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 67.5 mm-40 -95.05 93.78 7.58 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.72 0.408 . . . . 0.0 110.143 -175.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -58.81 120.07 8.33 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.754 0.788 . . . . 0.0 112.002 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -135.11 171.44 14.43 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.254 1.821 . . . . 0.0 109.932 -167.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -143.38 141.35 30.87 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 114.518 -1.219 . . . . 0.0 107.715 165.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -117.65 149.54 40.53 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.651 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 12.3 t80 -110.61 130.37 55.58 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -99.36 -178.19 3.83 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.523 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.1 162.17 32.84 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.217 1.007 . . . . 0.0 108.871 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 46.3 m -55.05 -29.38 57.37 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -84.69 -15.1 46.44 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.177 0.591 . . . . 0.0 111.811 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.67 50.14 3.42 Favored Glycine 0 C--N 1.341 0.861 0 C-N-CA 123.126 0.393 . . . . 0.0 112.378 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -126.13 129.72 49.62 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 27.0 m -85.54 128.04 34.63 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.449 0.699 . . . . 0.0 109.698 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.651 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.5 ppp? -104.54 -16.54 15.01 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.688 -174.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . 0.438 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 10.7 p90 -157.43 164.54 37.36 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 121.863 0.839 . . . . 0.0 110.953 162.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -136.47 146.45 46.32 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 112.966 -1.925 . . . . 0.0 106.972 165.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -77.38 161.28 28.14 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.88 -33.41 75.24 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 173.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.56 63.42 0.34 Allowed Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.9 -169.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -47.36 -53.79 12.89 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.884 1.274 . . . . 0.0 112.525 -159.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -163.61 -67.31 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.833 0.349 . . . . 0.0 111.377 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.63 176.93 9.93 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.649 0.78 . . . . 0.0 109.292 -174.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -64.55 -49.83 69.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.392 0.677 . . . . 0.0 109.786 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.22 -41.93 72.69 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.42 0.688 . . . . 0.0 110.684 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 13.4 m -69.48 -29.27 66.89 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.786 0.834 . . . . 0.0 111.458 178.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -48.23 61.51 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.238 0.615 . . . . 0.0 110.438 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 mp -58.07 -46.79 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.124 0.57 . . . . 0.0 110.822 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -57.05 -38.97 73.97 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.438 0.695 . . . . 0.0 111.235 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.514 ' HB2' ' HE1' ' A' ' 26' ' ' MET . . . -62.58 -51.92 65.44 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.79 174.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.94 -28.36 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 122.65 0.38 . . . . 0.0 111.602 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 43.7 mt-10 -66.12 -33.2 75.25 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.319 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 18.6 m -57.25 -38.84 74.43 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.821 0.701 . . . . 0.0 111.612 170.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.532 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.0 mm -67.69 -41.21 85.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -176.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.9 mmmm -65.84 -24.39 66.88 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.772 -176.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 28.1 mmt85 -63.4 -55.19 26.37 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.126 -176.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -172.05 17.51 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -170.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.532 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 18.2 t -65.18 -31.6 72.86 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.504 -0.747 . . . . 0.0 112.675 -175.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -66.16 -19.58 65.88 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.8 -4.57 34.04 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-O 119.853 -0.415 . . . . 0.0 113.637 172.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 139.08 57.05 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.809 0.844 . . . . 0.0 111.218 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -69.8 160.86 30.96 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 122.636 0.374 . . . . 0.0 111.529 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.406 HG21 HD13 ' A' ' 42' ' ' ILE . 32.4 m -117.85 100.36 7.53 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.209 0.604 . . . . 0.0 110.12 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 80.1 t -101.66 122.55 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.644 1.178 . . . . 0.0 109.756 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.54 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 10.2 t70 -100.44 112.4 24.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.566 0.346 . . . . 0.0 110.79 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -82.59 -35.32 27.18 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.407 1.083 . . . . 0.0 112.078 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.696 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.1 t -77.53 -13.33 59.94 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -161.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 66.1 p . . . . . 0 N--CA 1.483 1.195 0 CA-C-N 118.154 0.433 . . . . 0.0 110.821 178.807 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttm . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.34 157.39 19.92 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.445 0.64 . . . . 0.0 111.887 171.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.411 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -159.9 177.01 11.23 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.951 -167.725 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 97.5 m-85 -103.54 114.36 28.57 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.2 1.0 . . . . 0.0 109.893 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -95.45 110.11 22.2 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -98.29 130.56 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.593 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 44.9 p90 -144.87 178.48 7.99 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.967 0.507 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -121.07 146.84 46.31 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 167.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.57 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.1 t70 -101.41 -176.35 3.12 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -42.32 -37.69 1.6 Allowed 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 126.789 2.036 . . . . 0.0 114.569 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.631 ' HB1' ' HG3' ' A' ' 13' ' ' GLU . . . -98.68 18.93 15.68 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.93 0.892 . . . . 0.0 110.744 -174.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.27 30.57 76.98 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.728 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.631 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 37.3 mt-10 -80.86 91.71 6.01 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.996 0.518 . . . . 0.0 109.985 -172.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -55.08 106.9 0.25 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 122.779 1.276 . . . . 0.0 112.166 172.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.57 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 77.0 mtt180 -127.09 174.76 8.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 111.87 -2.423 . . . . 0.0 108.548 -175.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -163.18 166.53 23.23 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.093 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 9.2 ptp180 -144.0 171.2 14.59 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.334 1.021 . . . . 0.0 111.344 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -126.6 135.25 50.98 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -98.16 -178.27 4.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.725 -175.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' HB1' ' HG3' ' A' ' 24' ' ' GLU . . . -135.05 162.03 33.63 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.376 174.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.7 m -47.67 -30.48 3.8 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.977 1.311 . . . . 0.0 114.454 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -85.41 3.68 38.92 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.608 0.763 . . . . 0.0 112.456 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.17 30.07 67.89 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 122.819 0.247 . . . . 0.0 112.775 -172.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HG3' ' HB1' ' A' ' 20' ' ' ALA . 10.2 pt-20 -106.22 143.43 34.35 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.739 0.815 . . . . 0.0 109.106 177.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 m -98.92 140.93 32.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.188 0.595 . . . . 0.0 109.716 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.476 ' HE2' ' O ' ' B' ' 41' ' ' ALA . 2.0 ppp? -113.83 -22.29 10.24 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.976 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.443 ' CD1' ' SD ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -158.89 163.92 36.15 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 162.246 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 t -168.69 173.55 7.21 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 125.186 1.554 . . . . 0.0 110.224 -173.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m 60.0 62.27 1.69 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 162.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.71 -57.45 3.85 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 163.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.66 56.5 3.11 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -169.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -72.2 -60.65 2.13 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.292 0.637 . . . . 0.0 110.074 -165.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -170.09 -72.96 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.08 0.552 . . . . 0.0 111.1 175.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.6 173.09 12.03 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.874 0.87 . . . . 0.0 109.052 -172.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -64.51 -47.17 79.87 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.919 0.487 . . . . 0.0 110.411 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.74 87.65 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.685 0.394 . . . . 0.0 110.38 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 m -67.68 -31.0 70.67 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.936 0.894 . . . . 0.0 110.165 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.44 -49.54 63.24 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.09 0.956 . . . . 0.0 110.294 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.2 -45.68 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.346 0.658 . . . . 0.0 111.099 175.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -60.27 -40.2 89.52 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.295 0.569 . . . . 0.0 111.025 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.484 ' O ' ' HE2' ' B' ' 26' ' ' MET . . . -57.13 -54.24 49.01 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.736 172.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.63 -27.76 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.891 0.876 . . . . 0.0 112.119 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 46' ' ' LYS . 45.6 mt-10 -62.59 -30.58 71.44 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.608 0.363 . . . . 0.0 110.936 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.51 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 7.9 m -55.07 -39.39 69.22 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 168.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.564 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 5.8 mm -68.82 -46.48 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -174.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.493 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 8.1 mmmm -58.79 -26.55 64.18 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 114.504 -1.226 . . . . 0.0 112.591 -174.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.51 ' HE ' ' HA ' ' A' ' 44' ' ' SER . 70.8 mtm180 -61.28 -58.61 7.58 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.348 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -174.09 18.04 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -166.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.564 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.9 t -65.15 -33.58 76.35 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 121.461 -0.774 . . . . 0.0 112.024 -176.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -58.82 -34.16 71.2 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.819 170.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.05 -1.14 61.44 Favored Glycine 0 CA--C 1.538 1.507 0 CA-C-O 119.629 -0.539 . . . . 0.0 114.359 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.39 163.91 19.75 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.512 0.725 . . . . 0.0 111.533 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -88.87 158.21 18.17 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.4 m -120.06 105.13 10.72 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.144 0.578 . . . . 0.0 110.286 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 t -110.22 125.93 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 124.957 1.303 . . . . 0.0 110.067 -174.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -103.78 125.14 50.03 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.653 0.781 . . . . 0.0 110.801 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.1 mt -100.7 -23.05 14.72 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 125.118 1.367 . . . . 0.0 113.299 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.562 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 3.4 t -80.84 -26.95 36.66 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -165.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.422 HG21 ' HE2' ' B' ' 35' ' ' LYS . 45.6 p . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -175.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.8 ttm . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.85 164.79 22.94 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.185 0.594 . . . . 0.0 111.638 171.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.39 178.31 7.56 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.696 -168.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' B' ' 17' ' ' ARG . 98.6 m-85 -102.82 114.56 28.92 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.48 1.112 . . . . 0.0 109.829 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -96.9 110.35 22.88 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.5 mt -98.61 129.87 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.757 0.823 . . . . 0.0 109.026 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.562 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 37.2 p90 -144.33 178.41 7.94 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 122.956 0.502 . . . . 0.0 110.156 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -121.04 146.53 46.62 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 166.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.594 ' HB2' ' HD2' ' B' ' 15' ' ' ARG . 5.9 t70 -101.09 -177.02 3.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 119.102 -0.475 . . . . 0.0 109.802 -173.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -41.8 -38.17 1.43 Allowed 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 127.069 2.148 . . . . 0.0 114.675 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.63 ' HB2' ' HG3' ' B' ' 13' ' ' GLU . . . -97.71 18.99 14.38 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.848 0.859 . . . . 0.0 111.037 -175.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.84 30.82 77.98 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.96 -169.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.63 ' HG3' ' HB2' ' B' ' 11' ' ' ALA . 37.8 mt-10 -81.15 92.49 6.29 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.804 0.442 . . . . 0.0 110.07 -172.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -55.68 107.04 0.3 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.656 1.217 . . . . 0.0 111.997 172.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.594 ' HD2' ' HB2' ' B' ' 9' ' ' ASP . 85.1 mtt180 -127.11 175.32 8.21 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 111.609 -2.542 . . . . 0.0 109.231 -175.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -164.36 166.73 20.46 Favored 'General case' 0 C--O 1.247 0.923 0 C-N-CA 124.543 1.137 . . . . 0.0 109.299 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 13.7 ptt180 -144.38 170.27 16.33 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.4 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -125.9 134.95 51.42 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 171.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -98.5 -178.55 4.05 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.663 -175.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.44 160.7 37.19 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.52 1.128 . . . . 0.0 108.369 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.0 m -46.55 -31.13 2.59 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -85.46 4.95 33.28 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.507 0.723 . . . . 0.0 112.863 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.01 30.09 70.24 Favored Glycine 0 C--N 1.347 1.14 0 C-N-CA 123.22 0.438 . . . . 0.0 112.674 -173.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -105.0 144.27 32.04 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.778 0.831 . . . . 0.0 108.944 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -100.41 140.85 34.07 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.484 ' HE2' ' O ' ' A' ' 41' ' ' ALA . 1.9 ppp? -114.25 -22.37 9.98 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.978 -176.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . 0.415 ' CD1' ' SD ' ' B' ' 26' ' ' MET . 0.0 OUTLIER -158.96 164.32 35.7 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 161.214 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.2 t -168.29 174.1 7.3 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.361 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.0 m 59.48 61.59 1.97 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 162.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -57.19 4.05 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.073 161.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.08 56.94 3.12 Favored Glycine 0 C--N 1.352 1.419 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -168.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -72.5 -60.29 2.31 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 122.791 0.437 . . . . 0.0 110.311 -165.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -169.88 -72.96 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.643 0.589 . . . . 0.0 111.241 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.5 173.84 11.23 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.946 0.898 . . . . 0.0 109.279 -172.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.477 ' H ' ' HD2' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -66.23 -45.01 82.15 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.331 0.514 . . . . 0.0 110.384 -179.453 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.441 ' N ' ' HG2' ' B' ' 35' ' ' LYS . . . -60.88 -41.97 97.04 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.742 0.417 . . . . 0.0 110.316 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.9 m -66.11 -30.74 71.3 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.852 177.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.6 -49.91 60.81 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 124.059 0.943 . . . . 0.0 110.582 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mp -56.66 -46.88 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.15 0.58 . . . . 0.0 110.996 174.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 63.9 m-70 -60.62 -39.2 87.34 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.977 0.511 . . . . 0.0 111.518 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.476 ' O ' ' HE2' ' A' ' 26' ' ' MET . . . -57.8 -53.74 54.81 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.832 171.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.497 HG22 ' HD3' ' B' ' 46' ' ' LYS . 71.6 mt -57.51 -27.96 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.876 0.87 . . . . 0.0 111.916 176.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 54.3 mm-40 -61.93 -31.6 71.93 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.913 0.485 . . . . 0.0 110.579 177.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 6.1 m -55.35 -39.22 69.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 123.449 0.468 . . . . 0.0 112.199 169.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.558 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.6 mm -68.53 -46.21 80.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 123.617 0.573 . . . . 0.0 109.497 -175.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.497 ' HD3' HG22 ' B' ' 42' ' ' ILE . 7.2 mmmm -59.12 -26.26 64.55 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.207 -174.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 35.2 mmt-85 -62.49 -57.02 12.71 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 114.478 -1.237 . . . . 0.0 112.135 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -175.32 17.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -165.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.558 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 27.9 t -65.35 -33.47 76.05 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.437 -0.789 . . . . 0.0 111.947 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -59.4 -32.99 70.67 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.85 171.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.05 -0.9 59.82 Favored Glycine 0 CA--C 1.536 1.38 0 CA-C-O 119.727 -0.485 . . . . 0.0 114.108 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.15 162.96 21.27 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.708 0.803 . . . . 0.0 111.58 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 18.7 t70 -87.39 157.36 19.26 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.886 0.474 . . . . 0.0 110.203 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.3 m -119.44 104.49 10.38 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.351 0.66 . . . . 0.0 109.834 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 7.5 p -110.01 126.46 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 124.672 1.189 . . . . 0.0 110.903 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -103.75 125.55 50.29 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.346 0.658 . . . . 0.0 111.531 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -101.16 -20.73 15.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.85 1.26 . . . . 0.0 112.46 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.593 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.6 t -84.59 -8.55 58.86 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -169.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 50.6 p . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.689 -0.632 . . . . 0.0 109.464 172.486 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.1 ttp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.43 163.28 27.06 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.316 0.579 . . . . 0.0 111.939 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.75 -179.63 5.98 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.788 -168.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.432 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 92.6 m-85 -100.91 121.33 41.55 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.339 1.056 . . . . 0.0 109.356 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -99.68 109.9 22.34 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.55 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 32.9 mt -96.23 119.45 44.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -176.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.66 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 50.2 p90 -141.25 169.38 17.71 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.453 HE21 ' HA2' ' A' ' 12' ' ' GLY . 12.9 pt20 -112.43 147.74 35.82 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 170.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.637 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 16.6 t70 -76.24 160.25 29.86 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 171.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -33.76 38.28 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.995 0.918 . . . . 0.0 112.013 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.71 7.84 1.36 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.826 1.25 . . . . 0.0 112.55 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.453 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 69.57 29.06 71.62 Favored Glycine 0 C--N 1.343 0.959 0 C-N-CA 124.328 0.966 . . . . 0.0 113.017 -176.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.637 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 28.4 mm-40 -92.5 88.06 6.21 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -174.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -58.34 129.57 42.64 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.422 0.629 . . . . 0.0 111.738 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 91.8 mtt180 -152.88 178.22 9.9 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.23 1.812 . . . . 0.0 109.8 -169.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -151.1 156.09 40.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.902 -1.045 . . . . 0.0 108.951 173.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -129.32 158.9 37.8 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 174.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.521 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 13.9 t80 -115.18 132.36 56.63 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 177.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -98.45 -179.37 4.32 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.469 -171.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.555 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -135.22 157.94 45.63 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 125.173 1.389 . . . . 0.0 107.627 174.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 m -36.51 -42.43 0.34 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -174.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -89.86 17.14 7.01 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.61 19.25 79.35 Favored Glycine 0 N--CA 1.47 0.925 0 N-CA-C 112.8 -0.12 . . . . 0.0 112.8 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.555 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 20.5 mt-10 -81.3 155.59 25.96 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.873 0.869 . . . . 0.0 108.762 177.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.5 m -117.29 138.76 51.54 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.521 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.6 ppp? -114.13 -18.69 11.6 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.456 0.703 . . . . 0.0 112.028 -176.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.471 ' HD2' ' HE2' ' A' ' 26' ' ' MET . 10.9 p90 -154.35 160.9 41.95 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.345 0.593 . . . . 0.0 111.309 162.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -124.93 132.79 53.24 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 113.706 -1.588 . . . . 0.0 107.313 169.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -94.6 167.17 11.64 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.696 0.76 . . . . 0.0 111.712 -169.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -74.3 -20.72 60.03 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.468 169.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 15' ' ' ARG . . . 81.37 -9.29 55.46 Favored Glycine 0 C--N 1.358 1.751 0 N-CA-C 115.661 1.024 . . . . 0.0 115.661 174.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 62.6 t80 82.08 -62.13 0.16 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.374 1.47 . . . . 0.0 109.71 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -163.49 -70.04 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.941 0.496 . . . . 0.0 111.051 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -124.15 177.28 5.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.793 0.837 . . . . 0.0 109.093 -169.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' H ' ' HD3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -70.14 -42.82 72.06 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.721 0.691 . . . . 0.0 110.664 -179.449 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.99 -42.81 90.9 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.1 0.476 . . . . 0.0 110.366 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.435 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 12.2 m -67.67 -29.37 68.63 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.269 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.63 -44.81 66.42 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 123.63 0.772 . . . . 0.0 110.565 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 mp -57.08 -45.54 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 122.995 0.518 . . . . 0.0 110.478 171.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -59.66 -38.45 81.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.298 0.639 . . . . 0.0 110.903 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.425 ' HB2' ' HE2' ' B' ' 26' ' ' MET . . . -61.38 -53.94 50.12 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.414 172.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.43 ' HA ' HG12 ' A' ' 45' ' ' ILE . 71.1 mt -59.14 -25.69 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 122.978 0.511 . . . . 0.0 111.525 178.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.545 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 43.7 mt-10 -65.15 -38.04 89.32 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.505 ' HB2' ' HE1' ' B' ' 26' ' ' MET . 58.0 m -53.9 -38.67 65.05 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.037 0.836 . . . . 0.0 111.711 172.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.596 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.4 mm -68.18 -43.54 84.86 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 O-C-N 123.841 0.713 . . . . 0.0 109.214 -175.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.535 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.3 mmmm -62.37 -27.47 69.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.898 -1.046 . . . . 0.0 113.069 -175.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 43' ' ' GLU . 62.2 mtt85 -71.95 -52.35 17.59 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.532 -173.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.401 ' ND2' ' SD ' ' B' ' 1' ' ' MET . 64.5 t30 -166.98 17.06 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -170.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.596 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 18.7 t -67.19 -33.23 74.96 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 121.528 -0.733 . . . . 0.0 112.262 -178.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.558 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -64.92 -24.16 67.44 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 122.771 0.428 . . . . 0.0 111.596 172.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.97 -4.43 48.16 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 113.54 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.11 170.52 3.58 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.85 0.86 . . . . 0.0 111.331 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -99.5 157.86 16.14 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -113.09 109.38 18.72 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.606 0.762 . . . . 0.0 109.342 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.2 121.85 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.248 1.419 . . . . 0.0 109.058 -172.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.521 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.6 p-10 -103.03 110.06 21.84 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.294 0.569 . . . . 0.0 111.065 175.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.0 mt -78.08 -26.87 48.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.092 0.957 . . . . 0.0 112.457 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.68 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 5.4 t -71.96 -11.67 60.88 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -165.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 122.831 0.452 . . . . 0.0 110.302 -177.381 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.401 ' SD ' ' ND2' ' A' ' 48' ' ' ASN . 47.5 ttm . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.43 161.95 29.57 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.501 0.667 . . . . 0.0 111.482 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.23 -179.02 4.84 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.859 -166.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.427 ' HZ ' HG22 ' B' ' 45' ' ' ILE . 97.3 m-85 -100.69 121.12 41.12 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.333 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -99.5 109.72 22.24 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.521 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 29.5 mt -96.1 119.57 44.34 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -176.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.68 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 14.9 p90 -141.58 169.12 18.19 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.447 HE21 ' HA2' ' B' ' 12' ' ' GLY . 11.3 pt20 -111.76 148.39 33.61 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 170.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.491 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 22.5 t70 -76.81 160.65 29.1 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 171.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -33.54 40.86 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.026 0.93 . . . . 0.0 111.924 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.432 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . . . -72.62 8.59 1.38 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 124.726 1.21 . . . . 0.0 112.668 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . 0.447 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 69.52 29.32 71.58 Favored Glycine 0 C--N 1.346 1.11 0 C-N-CA 124.297 0.951 . . . . 0.0 112.884 -176.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.491 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 11.8 mm-40 -93.03 87.82 5.89 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -174.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' B' ' 35' ' ' LYS . 68.2 m-85 -58.05 131.59 50.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.651 0.739 . . . . 0.0 112.088 177.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.446 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 14.4 ptp180 -156.04 176.84 12.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 113.584 -1.644 . . . . 0.0 110.13 -168.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -150.07 156.36 41.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.965 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -128.85 159.48 35.63 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.49 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 14.4 t80 -116.04 132.58 56.61 Favored 'General case' 0 C--O 1.243 0.745 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -98.53 -179.73 4.42 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.453 -171.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.572 ' HB2' ' HB2' ' B' ' 24' ' ' GLU . . . -135.18 157.75 46.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.133 1.373 . . . . 0.0 107.784 174.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 56.3 p -35.66 -42.73 0.25 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -175.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.79 16.09 8.64 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.432 0.693 . . . . 0.0 112.668 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.91 18.81 79.34 Favored Glycine 0 C--N 1.344 1.019 0 N-CA-C 112.7 -0.16 . . . . 0.0 112.7 -175.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.572 ' HB2' ' HB2' ' B' ' 20' ' ' ALA . 12.6 mm-40 -80.02 156.02 27.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.892 0.877 . . . . 0.0 109.023 176.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 63.4 m -118.06 138.41 52.25 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.505 ' HE1' ' HB2' ' A' ' 44' ' ' SER . 1.4 ppp? -113.89 -17.87 11.92 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.363 0.665 . . . . 0.0 111.975 -176.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -156.82 160.56 39.32 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.473 0.654 . . . . 0.0 111.682 162.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.9 m -124.03 132.79 53.73 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 113.484 -1.689 . . . . 0.0 106.947 171.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -93.37 166.99 12.01 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.784 0.802 . . . . 0.0 111.719 -169.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -75.21 -20.52 59.23 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 113.826 -1.534 . . . . 0.0 109.332 168.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' B' ' 15' ' ' ARG . . . 81.9 -9.4 56.74 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 115.38 0.912 . . . . 0.0 115.38 173.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 63.2 t80 82.11 -62.51 0.16 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.447 1.499 . . . . 0.0 109.469 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -163.44 -69.8 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.03 0.532 . . . . 0.0 111.178 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.419 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -124.13 177.34 5.87 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.913 0.885 . . . . 0.0 109.057 -169.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' B' ' 36' ' ' ALA . 2.7 pptp? -70.14 -42.46 72.51 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 118.981 0.81 . . . . 0.0 110.763 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.443 ' N ' ' HD2' ' B' ' 35' ' ' LYS . . . -59.06 -43.13 91.68 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.904 0.481 . . . . 0.0 110.213 175.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.419 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 5.3 m -67.4 -29.77 69.36 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.11 176.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.75 -44.64 66.36 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.421 0.688 . . . . 0.0 110.572 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -56.92 -46.14 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.0 0.52 . . . . 0.0 110.414 171.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -58.46 -39.16 79.12 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.282 0.633 . . . . 0.0 111.218 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.486 ' HB1' ' HE1' ' A' ' 26' ' ' MET . . . -60.98 -54.06 49.54 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.486 172.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.485 HG22 ' HD3' ' B' ' 46' ' ' LYS . 74.2 mt -59.08 -26.11 32.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 123.023 0.529 . . . . 0.0 111.367 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 41.3 mt-10 -64.36 -38.55 91.44 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.456 ' HB2' ' HE3' ' A' ' 26' ' ' MET . 37.9 m -53.81 -38.51 64.64 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 124.135 0.897 . . . . 0.0 111.531 173.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.588 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.5 mm -68.27 -43.39 84.62 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 123.901 0.75 . . . . 0.0 109.357 -175.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.3 mmmm -63.59 -26.08 68.53 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.547 -174.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 14.2 mmt180 -72.99 -51.74 17.12 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.143 -0.935 . . . . 0.0 112.289 -173.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -167.11 16.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -170.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.588 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 20.4 t -67.13 -33.53 75.65 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.228 -0.92 . . . . 0.0 112.208 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.93 -23.9 67.36 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.679 0.392 . . . . 0.0 111.673 172.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.69 -4.46 48.99 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.674 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.87 170.7 3.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.853 0.861 . . . . 0.0 111.395 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.47 158.03 16.21 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.4 m -113.12 109.33 18.62 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.336 0.654 . . . . 0.0 109.369 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 52.2 t -118.09 122.26 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.913 1.285 . . . . 0.0 108.976 -173.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.55 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 9.3 p-10 -102.94 110.37 22.26 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.37 0.605 . . . . 0.0 111.024 175.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.81 -22.71 49.62 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.615 1.166 . . . . 0.0 111.717 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.66 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.0 t -93.56 10.9 30.67 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.974 -171.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.489 1.522 0 C-N-CA 126.334 1.854 . . . . 0.0 114.486 -173.318 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.8 ttm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.14 164.41 25.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 121.213 0.53 . . . . 0.0 111.344 173.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.563 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -164.34 177.63 8.11 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.24 -165.177 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -100.84 112.02 24.35 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.776 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HB2' ' HG2' ' A' ' 17' ' ' ARG . 67.1 mt-10 -93.06 105.6 17.68 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 mt -99.41 120.04 48.24 Favored 'Isoleucine or valine' 0 C--N 1.345 0.37 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -175.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.497 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.0 p90 -141.1 -177.97 5.36 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -122.85 150.28 43.08 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -89.32 165.08 14.62 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 124.633 1.173 . . . . 0.0 109.299 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -45.11 -37.01 3.98 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 126.049 1.74 . . . . 0.0 112.511 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.98 10.66 2.17 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.912 0.885 . . . . 0.0 112.303 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.34 33.44 87.24 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 124.645 1.117 . . . . 0.0 112.668 -176.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -108.03 119.21 38.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.551 0.34 . . . . 0.0 110.502 -172.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.74 124.72 29.28 Favored 'General case' 0 C--N 1.345 0.377 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 42.4 mtt180 -139.92 137.59 34.92 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.798 1.239 . . . . 0.0 108.247 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.412 ' CD1' ' HA2' ' A' ' 31' ' ' GLY . 49.7 p90 -108.76 166.31 10.9 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 121.546 0.688 . . . . 0.0 109.256 170.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HD2' ' HE1' ' A' ' 7' ' ' TYR . 3.1 ptm180 -139.17 162.18 35.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.009 174.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.508 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 20.0 t80 -119.11 133.5 55.75 Favored 'General case' 0 C--O 1.245 0.863 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 173.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -102.19 -179.02 3.87 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.006 -171.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.23 172.67 10.81 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 125.611 1.564 . . . . 0.0 107.426 174.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.2 p -69.41 -32.68 71.83 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 118.981 0.81 . . . . 0.0 111.313 -161.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -92.45 16.92 10.8 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.582 0.753 . . . . 0.0 111.592 -178.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.43 19.92 63.26 Favored Glycine 0 C--N 1.346 1.12 0 N-CA-C 114.515 0.566 . . . . 0.0 114.515 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -83.62 154.18 23.88 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.033 0.533 . . . . 0.0 109.608 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 m -115.42 151.14 35.26 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.525 ' HE3' ' HB1' ' B' ' 41' ' ' ALA . 2.2 ppp? -127.02 -32.66 2.51 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.468 0.707 . . . . 0.0 112.222 -175.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.534 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 1.3 p90 -144.16 158.72 43.56 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.915 0.325 . . . . 0.0 110.166 168.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 t -163.33 -176.92 5.02 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 m 92.37 -23.02 0.07 Allowed 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 148.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.508 ' HG3' ' H ' ' B' ' 28' ' ' SER . 30.0 mm-40 -76.97 -88.21 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.05 0.841 . . . . 0.0 111.862 176.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 15' ' ' ARG . . . 82.29 0.69 90.01 Favored Glycine 0 N--CA 1.476 1.345 0 CA-C-O 119.864 -0.409 . . . . 0.0 113.619 -171.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 t80 73.16 -65.22 0.37 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.914 1.685 . . . . 0.0 111.901 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -152.95 -56.06 0.12 Allowed 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 120.925 0.393 . . . . 0.0 110.751 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.455 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -141.11 -174.14 3.92 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.241 1.017 . . . . 0.0 108.747 -175.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -62.71 -46.19 89.25 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 118.644 0.656 . . . . 0.0 110.571 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.02 -47.64 68.17 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.22 0.608 . . . . 0.0 111.041 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.455 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.8 m -71.23 -27.17 63.28 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.397 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.95 -55.0 21.73 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 123.711 0.804 . . . . 0.0 110.236 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.406 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.3 mp -55.86 -47.83 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 123.349 0.66 . . . . 0.0 111.234 175.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -55.72 -44.21 77.27 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.876 0.47 . . . . 0.0 111.317 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB2' ' HE1' ' B' ' 26' ' ' MET . . . -57.36 -54.67 44.22 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.096 173.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.4 mt -56.18 -30.0 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.171 0.589 . . . . 0.0 111.904 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 44.2 mt-10 -64.27 -33.07 74.97 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.701 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.9 m -53.57 -41.18 66.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 123.573 0.546 . . . . 0.0 111.473 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.577 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.2 mm -69.1 -45.68 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.212 -174.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 8.6 mmmm -61.88 -24.59 67.03 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.027 -176.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 37.3 mmt180 -65.37 -57.96 7.07 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 123.764 0.665 . . . . 0.0 111.67 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -167.74 16.17 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -166.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.577 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.6 t -67.73 -32.77 73.62 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.262 -0.899 . . . . 0.0 112.927 -172.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.525 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.61 -30.41 71.33 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 122.577 0.351 . . . . 0.0 111.707 172.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.08 -0.05 57.31 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 115.867 -0.606 . . . . 0.0 113.774 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.04 167.71 7.52 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.572 0.749 . . . . 0.0 111.548 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.598 ' HB3' ' HB3' ' B' ' 3' ' ' LYS . 32.9 t70 -88.83 156.59 18.85 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.6 m -125.28 116.41 21.91 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.19 136.58 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.135 0.974 . . . . 0.0 110.981 -171.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -100.28 114.26 27.59 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.967 0.907 . . . . 0.0 109.748 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -79.27 -18.28 53.04 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.518 1.127 . . . . 0.0 110.926 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.57 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 7.3 t -89.56 11.53 19.31 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.876 0.87 . . . . 0.0 111.629 -174.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 170.671 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 45.2 ttm . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.59 161.01 24.09 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.218 0.532 . . . . 0.0 111.366 174.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . 0.598 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -160.55 176.76 11.23 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.075 -165.24 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -100.8 111.82 24.12 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.834 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -93.11 105.84 17.88 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mt -99.92 119.89 48.6 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.57 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 24.7 p90 -140.98 -178.86 5.76 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -121.33 149.82 42.37 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 168.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.42 ' HB2' ' HD3' ' B' ' 15' ' ' ARG . 32.8 t70 -89.3 165.7 14.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.515 1.126 . . . . 0.0 109.463 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -45.88 -36.37 5.29 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.992 1.717 . . . . 0.0 112.603 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.42 10.55 2.48 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.973 0.909 . . . . 0.0 112.079 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.56 33.2 86.59 Favored Glycine 0 C--N 1.347 1.169 0 C-N-CA 124.401 1.001 . . . . 0.0 113.004 -175.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.4 ' O ' ' HD2' ' B' ' 15' ' ' ARG . 47.3 mt-10 -108.24 109.26 20.58 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 122.463 0.305 . . . . 0.0 110.637 -172.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -64.83 124.42 21.94 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.368 0.604 . . . . 0.0 112.532 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.487 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 0.0 OUTLIER -141.94 139.36 32.47 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 113.828 -1.533 . . . . 0.0 109.711 177.649 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -108.75 166.44 10.8 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-O 121.767 0.794 . . . . 0.0 109.583 171.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -139.6 162.34 35.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.605 -1.634 . . . . 0.0 109.489 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.516 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.9 t80 -119.16 133.09 55.98 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 173.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -101.96 -178.86 3.83 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.117 -171.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.14 161.5 29.92 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.685 1.594 . . . . 0.0 107.547 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 75.3 p -49.72 -38.3 32.85 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -94.34 17.27 13.18 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 122.8 0.44 . . . . 0.0 110.801 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.56 19.54 61.78 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 114.528 0.571 . . . . 0.0 114.528 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -83.9 154.42 23.43 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -114.81 151.26 34.14 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.525 ' HE1' ' HB2' ' A' ' 41' ' ' ALA . 2.2 ppp? -127.41 -32.7 2.41 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.595 0.758 . . . . 0.0 112.258 -176.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . 0.452 ' HD2' ' HE2' ' B' ' 26' ' ' MET . 1.9 p90 -144.36 158.83 43.54 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 118.06 0.391 . . . . 0.0 110.163 168.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.508 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 33.2 m -162.82 -177.4 5.5 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.824 1.25 . . . . 0.0 111.16 -174.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 43.5 t 93.41 -23.87 0.05 Allowed 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 147.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -77.49 -87.89 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 118.687 0.676 . . . . 0.0 111.358 178.02 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.487 ' HA3' ' HA ' ' B' ' 15' ' ' ARG . . . 80.95 2.02 90.14 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-O 120.004 -0.331 . . . . 0.0 113.534 -171.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 t80 72.48 -64.71 0.38 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 126.083 1.753 . . . . 0.0 112.067 174.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -153.47 -56.54 0.12 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.008 0.523 . . . . 0.0 110.624 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.429 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -140.98 -174.17 3.92 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.203 1.001 . . . . 0.0 108.801 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.445 ' HZ2' HD11 ' B' ' 39' ' ' ILE . 4.4 tptt -61.96 -46.7 88.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.662 0.785 . . . . 0.0 110.245 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.16 -47.35 68.86 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.465 0.706 . . . . 0.0 110.968 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.429 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 5.8 m -72.68 -26.8 61.76 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.084 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -54.75 24.51 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 123.536 0.734 . . . . 0.0 109.957 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.445 HD11 ' HZ2' ' B' ' 35' ' ' LYS . 1.8 mp -55.76 -47.85 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.555 0.742 . . . . 0.0 111.194 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -56.16 -43.44 78.32 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 123.57 0.544 . . . . 0.0 111.152 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.525 ' HB1' ' HE3' ' A' ' 26' ' ' MET . . . -58.16 -54.56 45.56 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.034 174.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 65.4 mt -55.78 -30.59 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 123.342 0.657 . . . . 0.0 111.737 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 42.6 mt-10 -63.45 -33.76 76.28 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 119.073 -0.489 . . . . 0.0 110.471 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 37.9 m -53.39 -41.27 65.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 123.739 0.649 . . . . 0.0 111.509 170.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.558 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.0 mm -69.24 -45.51 79.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.191 -174.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.7 mmmm -63.05 -23.26 67.37 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.694 -176.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 22.8 mmm180 -66.67 -57.76 6.52 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.5 0.5 . . . . 0.0 111.545 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -166.94 16.51 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -166.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.558 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 20.2 t -67.31 -33.1 74.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.527 -0.733 . . . . 0.0 112.821 -172.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.47 -30.86 71.56 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.576 0.35 . . . . 0.0 111.593 172.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.0 0.56 57.53 Favored Glycine 0 C--N 1.351 1.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 113.826 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.29 167.59 8.18 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.575 0.75 . . . . 0.0 111.555 176.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.563 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 26.0 t70 -88.83 156.61 18.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.097 0.559 . . . . 0.0 109.637 175.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 47.2 m -125.3 116.55 22.11 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.7 p -130.98 137.73 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.106 0.962 . . . . 0.0 110.93 -171.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.3 116.04 31.82 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.393 0.677 . . . . 0.0 109.978 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.61 -24.35 36.47 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.418 1.087 . . . . 0.0 112.362 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.497 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.5 t -88.22 16.73 5.84 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 120.011 1.278 . . . . 0.0 111.187 -170.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 36.6 p . . . . . 0 N--CA 1.477 0.876 0 C-N-CA 124.481 1.112 . . . . 0.0 109.296 172.416 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 ttm . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -61.22 162.98 6.79 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.502 0.721 . . . . 0.0 112.082 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.17 179.29 6.98 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.103 -163.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -103.46 109.77 21.55 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.527 1.131 . . . . 0.0 109.035 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.446 ' HB2' ' CG ' ' A' ' 17' ' ' ARG . 35.1 mt-10 -94.93 107.8 19.84 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.438 -178.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.473 ' HA ' ' HB3' ' A' ' 16' ' ' PHE . 24.6 mt -96.17 126.1 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.041 0.936 . . . . 0.0 109.042 -172.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.601 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.0 p90 -140.49 179.97 6.36 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.263 0.554 . . . . 0.0 109.711 177.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -117.33 141.54 48.19 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 162.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.651 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.4 t70 -90.81 169.36 11.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -176.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -41.17 -37.54 0.92 Allowed 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 126.376 1.871 . . . . 0.0 113.211 -177.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.45 11.63 1.53 Allowed 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 124.166 0.986 . . . . 0.0 112.852 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.96 25.78 64.61 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 123.528 0.585 . . . . 0.0 112.695 -172.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -105.5 133.83 49.61 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -170.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -88.22 114.38 24.78 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.831 0.824 . . . . 0.0 109.723 -166.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.651 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 97.9 mtt180 -135.77 138.19 42.39 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.209 -1.814 . . . . 0.0 109.268 -171.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.473 ' HB3' ' HA ' ' A' ' 6' ' ' ILE . 32.1 p90 -124.02 169.21 11.88 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.226 0.61 . . . . 0.0 110.564 174.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' CG ' ' HB2' ' A' ' 5' ' ' GLU . 8.3 ptm180 -127.51 159.94 33.03 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.767 178.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.4 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.1 t80 -118.77 130.64 55.91 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 167.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -98.82 -177.79 3.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.574 -1.193 . . . . 0.0 110.811 -174.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.415 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . . . -138.46 164.33 29.66 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.475 1.11 . . . . 0.0 108.064 173.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -51.85 -31.41 27.65 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -176.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -75.75 -9.54 58.68 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.838 0.855 . . . . 0.0 111.818 -178.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.02 45.6 10.21 Favored Glycine 0 C--N 1.341 0.821 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 7.7 pt-20 -125.12 142.23 51.62 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.998 0.919 . . . . 0.0 109.063 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 m -96.62 131.06 43.65 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.532 0.733 . . . . 0.0 109.703 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.441 ' HE1' ' O ' ' B' ' 41' ' ' ALA . 1.0 OUTLIER -108.69 -17.95 13.83 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.283 -176.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' HD2' ' HG2' ' B' ' 30' ' ' GLU . 0.0 OUTLIER -163.68 165.84 22.85 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 160.122 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.7 p -178.31 172.52 1.51 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 114.469 -1.241 . . . . 0.0 111.278 -170.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m 64.63 24.21 12.94 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 165.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.505 ' HG2' ' HD2' ' B' ' 27' ' ' PHE . 0.0 OUTLIER -52.7 -36.33 57.08 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.398 1.079 . . . . 0.0 111.437 170.135 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.49 55.5 20.27 Favored Glycine 0 C--N 1.36 1.87 0 CA-C-O 119.262 -0.743 . . . . 0.0 112.598 172.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -69.51 -62.84 1.22 Allowed 'General case' 0 C--N 1.353 0.76 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -167.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -171.93 -74.54 0.01 OUTLIER 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.579 0.549 . . . . 0.0 112.185 163.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.34 172.52 8.6 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.352 0.661 . . . . 0.0 109.684 -168.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 2.5 pptp? -67.25 -43.41 81.96 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.601 0.637 . . . . 0.0 111.306 -177.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -56.63 -40.67 75.79 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.79 0.436 . . . . 0.0 110.857 175.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.7 m -71.83 -30.73 65.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.822 0.849 . . . . 0.0 111.093 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.81 -54.38 16.19 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.604 0.762 . . . . 0.0 110.824 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.88 -46.8 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.207 0.603 . . . . 0.0 110.91 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -55.83 -40.81 73.33 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.973 0.509 . . . . 0.0 111.659 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HB1' ' HE2' ' B' ' 26' ' ' MET . . . -59.35 -52.06 67.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.2 0.6 . . . . 0.0 110.058 173.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.07 -27.74 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.788 178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.6 mt-10 -67.45 -32.71 73.76 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 119.116 -0.469 . . . . 0.0 110.19 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.1 m -57.45 -39.22 75.82 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.628 0.58 . . . . 0.0 111.567 171.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.518 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.6 mm -67.04 -42.61 88.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -175.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.2 mmmm -59.78 -26.33 65.63 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -177.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 29.7 mmt180 -71.42 -50.29 33.35 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.963 -171.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -170.35 18.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.518 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 7.7 t -62.31 -37.29 85.0 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.551 -0.718 . . . . 0.0 112.221 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.564 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.09 -24.94 68.13 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.353 174.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.66 -11.72 46.42 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.675 173.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.73 138.86 56.57 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.9 0.88 . . . . 0.0 111.087 -175.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -68.13 159.33 31.19 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.809 0.444 . . . . 0.0 111.365 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -115.32 102.52 9.93 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.41 127.86 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.95 0.9 . . . . 0.0 110.196 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -107.18 121.13 43.9 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 122.847 0.459 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -96.56 -20.55 18.27 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.518 1.127 . . . . 0.0 112.784 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.61 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 8.8 t -86.57 5.06 37.43 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 122.801 0.44 . . . . 0.0 111.678 -172.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.674 HG22 ' HZ1' ' B' ' 35' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.935 0 C-N-CA 123.708 0.803 . . . . 0.0 109.863 167.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttm . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -68.34 162.66 24.77 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.549 0.69 . . . . 0.0 111.827 170.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.95 178.94 7.35 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.015 -167.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -103.29 109.48 21.1 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.607 1.163 . . . . 0.0 109.284 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -94.24 106.04 18.02 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.58 0.752 . . . . 0.0 109.187 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.447 ' HA ' ' HB3' ' B' ' 16' ' ' PHE . 23.6 mt -95.8 125.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.838 0.855 . . . . 0.0 109.082 -172.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.658 ' HE1' ' HG3' ' B' ' 17' ' ' ARG . 47.1 p90 -140.51 -179.46 6.03 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.336 0.589 . . . . 0.0 109.702 176.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -116.75 141.58 48.02 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 163.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -92.01 169.41 10.68 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -41.05 -37.43 0.84 Allowed 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 126.358 1.863 . . . . 0.0 113.243 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.55 11.75 1.52 Allowed 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 124.328 1.051 . . . . 0.0 112.757 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.33 26.16 63.66 Favored Glycine 0 C--N 1.352 1.458 0 C-N-CA 123.714 0.674 . . . . 0.0 112.69 -172.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -104.88 133.08 50.29 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -170.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -88.05 114.19 24.42 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.901 0.857 . . . . 0.0 109.825 -166.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -135.64 137.75 42.18 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 113.127 -1.851 . . . . 0.0 109.393 -170.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.447 ' HB3' ' HA ' ' B' ' 6' ' ' ILE . 32.5 p90 -124.02 168.37 12.93 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.445 0.64 . . . . 0.0 110.478 174.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.658 ' HG3' ' HE1' ' B' ' 7' ' ' TYR . 16.7 mtm180 -125.1 159.92 30.29 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.326 -1.306 . . . . 0.0 109.436 178.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -119.03 130.83 55.86 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 165.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -98.61 -177.78 3.78 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.94 -174.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.83 163.91 30.24 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.514 1.125 . . . . 0.0 108.191 173.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.9 p -52.35 -30.75 30.19 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -75.57 -9.59 58.71 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 123.689 0.795 . . . . 0.0 111.793 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.22 46.06 9.5 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -173.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -125.69 141.97 51.75 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.201 1.0 . . . . 0.0 108.97 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 90.9 m -96.01 131.58 42.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.451 0.7 . . . . 0.0 109.555 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.444 ' HE2' ' HB1' ' A' ' 41' ' ' ALA . 1.1 ppp? -108.96 -18.07 13.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.272 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . 0.505 ' HD2' ' HG2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -163.95 166.03 22.04 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 160.436 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.441 ' CB ' ' HG2' ' B' ' 17' ' ' ARG . 58.9 p -178.06 173.02 1.54 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.583 -169.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m 63.36 24.62 14.29 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 164.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.489 ' HG2' ' HD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -52.6 -35.93 55.19 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.402 1.081 . . . . 0.0 111.528 169.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.53 54.94 23.18 Favored Glycine 0 C--N 1.359 1.859 0 CA-C-O 119.223 -0.765 . . . . 0.0 112.404 172.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -69.19 -62.83 1.22 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -167.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -172.24 -74.93 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 O-C-N 123.639 0.587 . . . . 0.0 112.123 163.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.18 171.5 9.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.321 0.648 . . . . 0.0 109.322 -167.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.674 ' HZ1' HG22 ' A' ' 59' ' ' THR . 14.6 tttp -65.99 -45.02 83.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.26 0.624 . . . . 0.0 110.966 -177.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.65 -41.02 73.02 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.931 0.492 . . . . 0.0 111.03 174.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.7 m -72.05 -30.78 65.51 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.747 0.819 . . . . 0.0 111.187 176.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.21 -54.64 16.37 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 123.794 0.838 . . . . 0.0 110.833 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.412 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.4 mp -56.68 -47.06 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.185 0.594 . . . . 0.0 110.813 174.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -56.43 -40.36 74.63 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 123.518 0.511 . . . . 0.0 111.385 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.441 ' O ' ' HE1' ' A' ' 26' ' ' MET . . . -59.15 -52.39 65.91 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.059 0.544 . . . . 0.0 110.184 173.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 70.9 mt -59.5 -28.3 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 122.956 0.502 . . . . 0.0 111.894 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.522 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 46.4 mt-10 -67.46 -31.78 72.17 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.587 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 28.6 m -58.08 -39.0 77.47 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.439 0.462 . . . . 0.0 111.723 170.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.506 HG22 ' HG ' ' B' ' 49' ' ' SER . 2.6 mm -67.47 -42.35 87.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.5 mmmm -60.15 -26.43 66.29 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 31.5 mmt180 -70.38 -49.99 43.38 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.705 -172.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -170.99 17.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -169.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.506 ' HG ' HG22 ' B' ' 45' ' ' ILE . 87.4 p -61.59 -38.35 87.22 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 118.765 0.711 . . . . 0.0 112.052 -176.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.563 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.52 -24.9 67.74 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.633 0.773 . . . . 0.0 112.302 175.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.86 -12.13 44.39 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.771 -0.46 . . . . 0.0 113.578 173.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.48 138.98 57.01 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.862 0.865 . . . . 0.0 111.116 -175.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -69.53 159.67 32.9 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.922 0.391 . . . . 0.0 111.345 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.3 m -115.0 101.84 9.39 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 90.6 t -103.14 126.97 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.518 1.127 . . . . 0.0 109.545 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.421 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.2 t70 -106.84 121.4 44.34 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.112 0.565 . . . . 0.0 110.784 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.21 -24.04 15.89 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.969 1.307 . . . . 0.0 112.57 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.601 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.2 t -78.56 -30.75 47.03 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -165.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -176.809 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.4 ttm . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -155.13 174.41 15.24 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.163 0.985 . . . . 0.0 110.332 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.8 OUTLIER -164.44 176.31 9.15 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.248 0.547 . . . . 0.0 111.699 -173.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -95.29 112.85 24.5 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.595 1.158 . . . . 0.0 108.545 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -93.67 106.04 18.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.536 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 21.4 mt -99.93 120.67 49.66 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -177.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.533 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 34.4 p90 -138.12 -177.25 4.74 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -122.03 151.73 40.53 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 161.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.422 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 31.0 t70 -81.54 164.55 21.87 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.88 -35.65 10.79 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.332 1.453 . . . . 0.0 111.411 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.3 13.56 1.15 Allowed 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 115.179 -0.918 . . . . 0.0 112.224 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.06 21.64 77.01 Favored Glycine 0 C--N 1.349 1.254 0 C-N-CA 124.435 1.017 . . . . 0.0 113.34 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.422 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 36.3 mt-10 -95.79 96.83 9.23 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.354 0.261 . . . . 0.0 111.269 -168.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.469 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 74.6 m-85 -52.86 124.32 13.76 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.056 0.542 . . . . 0.0 111.579 174.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -146.7 136.69 23.4 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 126.069 1.748 . . . . 0.0 108.161 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -116.19 133.45 56.01 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 172.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -110.19 161.54 15.47 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.623 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 11.6 t80 -117.59 134.1 55.24 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 175.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -96.88 -178.6 4.28 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.866 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.521 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . . . -136.06 165.67 25.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.891 177.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.7 p -57.72 -27.45 62.99 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.713 0.805 . . . . 0.0 112.663 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -75.89 -7.65 55.03 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.883 0.873 . . . . 0.0 111.559 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.53 42.23 55.96 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -173.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.521 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 17.1 pt-20 -121.32 138.56 54.19 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.6 m -88.61 138.36 31.49 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.623 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.1 ppp? -115.18 -11.83 11.96 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.887 -177.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.581 ' HE2' ' HB3' ' A' ' 29' ' ' SER . 9.5 p90 -162.84 158.94 23.29 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.174 0.511 . . . . 0.0 111.247 162.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 t -120.19 132.63 55.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 113.099 -1.864 . . . . 0.0 106.058 169.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.581 ' HB3' ' HE2' ' A' ' 27' ' ' PHE . 95.4 p -98.6 178.62 4.95 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.431 1.014 . . . . 0.0 111.782 -171.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.49 -28.92 68.25 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.38 -1.736 . . . . 0.0 110.616 168.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 79.4 -11.08 33.0 Favored Glycine 0 C--N 1.359 1.816 0 CA-C-N 116.074 -0.512 . . . . 0.0 113.839 -172.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.7 t80 80.84 -60.79 0.25 Allowed 'General case' 0 C--N 1.355 0.84 0 C-N-CA 126.329 1.852 . . . . 0.0 110.622 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -156.16 -69.12 0.11 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.854 0.462 . . . . 0.0 111.01 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.438 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -133.37 -172.99 3.09 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.276 1.03 . . . . 0.0 109.086 -171.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -48.72 64.26 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 118.406 0.548 . . . . 0.0 109.654 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.78 88.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.224 0.61 . . . . 0.0 110.698 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.438 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 4.4 m -71.22 -29.91 65.72 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.657 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.02 -43.33 71.55 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.222 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.73 -48.3 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.455 0.702 . . . . 0.0 110.471 171.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -58.53 -39.43 80.13 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.387 0.675 . . . . 0.0 110.594 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB1' ' HE2' ' B' ' 26' ' ' MET . . . -61.1 -52.47 64.78 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.033 174.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.559 ' HA ' HG12 ' A' ' 45' ' ' ILE . 94.3 mt -60.65 -25.19 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.114 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.6 mt-10 -67.04 -31.84 72.65 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 122.28 -0.262 . . . . 0.0 110.343 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 4.2 m -59.35 -38.86 81.45 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 123.335 0.397 . . . . 0.0 111.897 168.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.559 HG12 ' HA ' ' A' ' 42' ' ' ILE . 4.7 mm -67.16 -40.29 84.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.7 mmmm -63.62 -19.26 64.72 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 17.7 mmm180 -73.95 -55.53 6.05 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.464 -174.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.51 ' ND2' ' SD ' ' B' ' 1' ' ' MET . 8.5 t30 -166.73 16.78 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -169.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.476 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 7.4 t -61.39 -36.87 81.47 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.381 -0.824 . . . . 0.0 112.711 -174.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.09 -22.27 66.74 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 175.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.17 -6.19 29.87 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-O 119.864 -0.409 . . . . 0.0 113.627 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.57 138.4 58.38 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.005 0.922 . . . . 0.0 111.182 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.67 151.25 47.75 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 122.863 0.465 . . . . 0.0 110.616 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.4 m -114.94 118.79 34.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.445 0.698 . . . . 0.0 109.317 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.0 t -127.97 126.13 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.434 1.094 . . . . 0.0 109.395 -172.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.536 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.9 p-10 -103.39 108.17 19.3 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.87 0.843 . . . . 0.0 110.431 172.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.06 -18.74 60.79 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.863 1.265 . . . . 0.0 111.625 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.568 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.0 t -86.76 -13.87 43.99 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.751 0.42 . . . . 0.0 111.829 -172.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -174.355 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.51 ' SD ' ' ND2' ' A' ' 48' ' ' ASN . 51.7 ttm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.22 170.81 9.46 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.094 0.473 . . . . 0.0 111.391 170.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -162.91 175.94 10.69 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.345 -173.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -94.32 112.8 24.61 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.607 1.163 . . . . 0.0 108.687 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -93.17 105.62 17.69 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.536 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 14.2 mt -99.53 120.31 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.568 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 27.2 p90 -137.84 -177.18 4.69 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -122.62 151.58 41.32 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 161.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.469 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 33.4 t70 -81.06 164.62 22.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 177.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -48.32 -35.67 12.79 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 125.411 1.484 . . . . 0.0 111.563 176.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.63 13.35 1.02 Allowed 'General case' 0 CA--C 1.564 1.5 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.447 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.22 21.31 77.16 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 124.273 0.94 . . . . 0.0 113.167 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.469 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 48.3 mt-10 -95.26 97.25 9.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.655 0.382 . . . . 0.0 111.086 -168.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.458 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 97.2 m-85 -53.75 124.78 16.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.879 0.472 . . . . 0.0 111.056 174.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -146.22 137.0 24.28 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 126.139 1.775 . . . . 0.0 108.192 -176.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -116.18 134.01 55.4 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -110.27 161.82 15.22 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.643 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 11.7 t80 -117.61 134.06 55.29 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 174.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -96.6 -178.84 4.4 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.764 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.33 164.82 26.87 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.282 1.033 . . . . 0.0 108.688 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 28.3 p -57.79 -26.65 62.23 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.513 0.725 . . . . 0.0 112.534 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -76.71 -6.94 54.25 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.8 0.84 . . . . 0.0 112.005 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.4 41.28 58.88 Favored Glycine 0 C--N 1.344 0.985 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 -173.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -120.66 138.55 53.87 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.2 1.0 . . . . 0.0 108.593 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 59.0 m -88.97 138.32 31.51 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.643 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.1 ppp? -115.12 -12.21 11.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.726 0.81 . . . . 0.0 111.844 -176.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . 0.594 ' HE2' ' HB3' ' B' ' 29' ' ' SER . 9.7 p90 -162.58 158.53 23.53 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.319 0.581 . . . . 0.0 111.342 163.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 75.6 m -119.62 133.03 55.82 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 113.171 -1.831 . . . . 0.0 106.511 168.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.594 ' HB3' ' HE2' ' B' ' 27' ' ' PHE . 92.9 p -98.7 178.66 4.92 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.415 1.007 . . . . 0.0 111.775 -171.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.31 -29.19 68.71 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.233 -1.803 . . . . 0.0 110.634 168.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 79.26 -10.92 32.89 Favored Glycine 0 C--N 1.357 1.729 0 CA-C-N 115.889 -0.596 . . . . 0.0 113.737 -172.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 72.2 t80 80.92 -61.12 0.23 Allowed 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.032 1.733 . . . . 0.0 110.508 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -156.37 -69.17 0.11 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.928 0.491 . . . . 0.0 110.824 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.44 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -133.23 -173.53 3.23 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.055 0.942 . . . . 0.0 109.447 -171.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.83 -50.59 62.1 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 118.684 0.675 . . . . 0.0 109.329 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.94 82.9 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.134 0.573 . . . . 0.0 110.966 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.44 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 2.8 m -72.33 -29.72 64.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.006 0.922 . . . . 0.0 110.539 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.13 -43.35 71.13 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.154 176.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 1.8 mp -56.99 -48.77 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.451 0.7 . . . . 0.0 110.414 171.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -57.17 -40.29 77.01 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.427 0.691 . . . . 0.0 110.758 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -60.51 -52.67 64.2 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.108 174.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.518 ' HA ' HG12 ' B' ' 45' ' ' ILE . 94.6 mt -60.33 -25.71 34.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.021 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.498 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 19.2 mm-40 -66.86 -31.88 72.79 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.41 ' HB2' ' HE1' ' A' ' 26' ' ' MET . 13.5 m -59.11 -38.63 80.02 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 168.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' B' ' 42' ' ' ILE . 3.6 mm -67.89 -40.07 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.498 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.4 mmmm -63.84 -18.78 64.49 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -177.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 26.7 mmt180 -74.54 -54.9 6.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.31 -173.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -167.25 16.63 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 -169.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.466 ' HG ' HG22 ' B' ' 45' ' ' ILE . 85.9 p -60.42 -37.74 81.84 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -175.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.2 -22.39 66.84 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.391 0.676 . . . . 0.0 112.207 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.95 -6.07 30.39 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-O 119.785 -0.453 . . . . 0.0 113.723 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.75 137.75 57.98 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.144 0.978 . . . . 0.0 111.172 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.406 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 17.2 t0 -65.49 151.2 46.95 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.196 0.598 . . . . 0.0 110.776 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.8 m -115.5 119.3 35.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.276 0.63 . . . . 0.0 109.522 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.92 126.04 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.36 1.064 . . . . 0.0 109.092 -172.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.536 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 7.8 p-10 -102.99 107.39 18.17 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.543 0.611 . . . . 0.0 110.447 171.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 60.8 mt -72.47 -15.48 61.81 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.878 1.271 . . . . 0.0 111.717 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.533 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.8 t -90.7 24.27 2.76 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 124.276 1.03 . . . . 0.0 110.54 -177.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.1 p . . . . . 0 N--CA 1.501 2.114 0 C-N-CA 126.331 1.852 . . . . 0.0 114.406 178.809 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttm . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -66.99 167.41 11.82 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 121.082 0.468 . . . . 0.0 111.339 169.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.419 ' HA ' ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -168.29 -175.42 2.57 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.366 -165.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -103.92 121.64 43.53 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.855 0.862 . . . . 0.0 108.767 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -96.45 112.51 24.22 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.9 mt -102.39 119.72 51.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.487 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 27.4 p90 -133.05 -176.49 4.14 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.58 148.73 47.66 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 170.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.95 173.87 7.22 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 123.457 0.703 . . . . 0.0 109.986 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -45.44 -33.61 2.71 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 125.752 1.908 . . . . 0.0 114.163 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.462 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -72.22 2.6 5.69 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.982 0.913 . . . . 0.0 112.315 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.9 38.33 96.39 Favored Glycine 0 C--N 1.354 1.564 0 C-N-CA 123.93 0.776 . . . . 0.0 112.301 -173.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -125.72 152.84 44.77 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -92.4 132.89 36.39 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -168.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -125.55 139.52 53.53 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.756 1.623 . . . . 0.0 109.149 -173.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.474 ' HD1' ' H ' ' A' ' 31' ' ' GLY . 5.0 p90 -106.06 157.47 17.51 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 175.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -143.49 133.03 23.55 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 124.148 0.905 . . . . 0.0 110.336 157.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.473 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.1 t80 -97.44 125.85 42.34 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 176.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -96.14 -180.0 4.86 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.446 -170.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -130.03 159.94 35.19 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.73 176.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -51.6 -32.38 28.58 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.522 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 6.7 t30 -78.3 -6.5 55.22 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.091 0.556 . . . . 0.0 111.566 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.53 12.52 69.48 Favored Glycine 0 C--N 1.346 1.085 0 C-N-CA 123.001 0.334 . . . . 0.0 112.669 -172.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.522 ' HG2' ' HB3' ' A' ' 22' ' ' ASN . 23.0 mm-40 -75.63 164.63 26.1 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.731 0.812 . . . . 0.0 110.406 175.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.9 m -128.78 124.23 34.92 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 176.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.473 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -99.42 -16.7 18.29 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.596 -173.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.15 165.36 19.85 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 161.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.8 p -175.4 145.37 0.74 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.841 -174.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 p 166.72 -93.81 0.0 OUTLIER 'General case' 0 C--N 1.37 1.482 0 O-C-N 124.716 1.26 . . . . 0.0 111.684 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.38 -54.65 29.47 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -157.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.474 ' H ' ' HD1' ' A' ' 16' ' ' PHE . . . 64.99 10.89 49.01 Favored Glycine 0 N--CA 1.492 2.416 0 C-N-CA 123.245 0.45 . . . . 0.0 114.203 -168.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.1 t80 71.03 -74.88 0.08 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.661 1.984 . . . . 0.0 110.273 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -167.66 -79.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.894 0.477 . . . . 0.0 111.262 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.59 165.49 11.63 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.212 1.005 . . . . 0.0 109.651 -171.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -47.82 83.56 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 119.481 1.037 . . . . 0.0 112.794 -172.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.8 -47.88 70.37 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 121.267 0.556 . . . . 0.0 110.912 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.5 m -74.7 -24.03 58.7 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.302 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.31 -55.77 12.51 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.552 0.741 . . . . 0.0 110.165 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 mp -58.87 -47.33 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.041 0.536 . . . . 0.0 110.344 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -55.76 -38.31 69.68 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 123.87 0.731 . . . . 0.0 111.848 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -60.21 -54.84 41.07 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.426 ' HA ' HG12 ' A' ' 45' ' ' ILE . 76.3 mt -61.01 -22.38 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 122.842 0.457 . . . . 0.0 111.869 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.5 mt-10 -68.64 -34.19 75.31 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 4.3 m -55.01 -36.68 65.71 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 124.137 0.898 . . . . 0.0 112.008 171.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.592 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.5 mm -68.3 -41.47 83.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -176.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.58 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -71.44 -16.16 62.37 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 123.862 0.865 . . . . 0.0 112.403 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 15.4 mmt180 -69.9 -56.14 7.85 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.566 0.541 . . . . 0.0 111.123 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -169.2 16.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -170.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.9 t -66.37 -35.75 81.14 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 121.691 -0.631 . . . . 0.0 112.693 -176.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.59 -31.21 72.0 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.773 0.32 . . . . 0.0 111.227 172.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.75 -2.59 64.88 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.838 177.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.33 164.66 25.29 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.303 0.641 . . . . 0.0 110.648 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -93.44 162.24 14.06 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.029 0.532 . . . . 0.0 110.181 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.7 m -112.15 99.49 8.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.72 0.808 . . . . 0.0 108.832 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.9 t -100.23 128.94 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.423 1.089 . . . . 0.0 109.641 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -110.53 110.39 21.09 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.214 0.606 . . . . 0.0 109.615 173.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.477 HD12 ' HB3' ' B' ' 5' ' ' GLU . 42.4 mt -74.86 -32.41 61.89 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.817 1.247 . . . . 0.0 112.859 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.531 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 13.1 t -93.3 0.19 56.9 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 118.487 0.585 . . . . 0.0 112.099 -162.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.628 HG23 ' HD2' ' B' ' 35' ' ' LYS . 81.1 p . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.9 ttm . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -71.89 166.63 21.72 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 121.195 0.521 . . . . 0.0 111.388 170.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -169.92 -175.08 1.96 Allowed 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.916 -166.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -103.68 122.29 44.73 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.841 0.857 . . . . 0.0 108.784 177.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.477 ' HB3' HD12 ' A' ' 57' ' ' LEU . 39.2 mt-10 -97.7 112.26 24.22 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.4 mt -101.96 119.19 49.9 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.531 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 23.2 p90 -132.6 -176.46 4.1 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.58 149.55 46.91 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 170.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.69 173.81 7.14 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 123.456 0.702 . . . . 0.0 109.714 178.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -45.86 -33.4 3.15 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 125.724 1.89 . . . . 0.0 114.094 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.46 ' N ' ' HD3' ' B' ' 10' ' ' LYS . . . -72.41 2.62 5.9 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.206 1.003 . . . . 0.0 112.171 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.75 37.98 95.51 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 123.603 0.62 . . . . 0.0 112.302 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.408 ' HB2' ' NH1' ' B' ' 15' ' ' ARG . 46.0 mt-10 -126.23 152.73 45.68 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -174.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.422 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 46.2 m-85 -91.4 132.19 36.37 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -169.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -123.43 138.81 54.51 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.427 1.891 . . . . 0.0 108.988 -174.32 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.635 ' HE1' ' HB3' ' B' ' 38' ' ' ALA . 11.6 m-85 -103.28 157.76 16.79 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 173.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -143.49 132.92 23.41 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.222 0.951 . . . . 0.0 110.626 155.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.472 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 14.6 t80 -96.81 126.02 41.67 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 175.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -96.59 179.46 4.99 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.341 -170.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' B' ' 24' ' ' GLU . . . -129.41 159.99 34.5 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.949 1.299 . . . . 0.0 108.876 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -51.6 -33.09 31.3 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.34 1.056 . . . . 0.0 113.578 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -77.31 -7.02 55.33 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.358 0.663 . . . . 0.0 112.129 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.97 11.71 69.64 Favored Glycine 0 N--CA 1.468 0.819 0 C-N-CA 122.909 0.29 . . . . 0.0 112.684 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.431 ' HB2' ' HB1' ' B' ' 20' ' ' ALA . 32.5 mt-10 -74.65 165.49 25.13 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.62 0.768 . . . . 0.0 110.449 174.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 12.8 m -129.58 124.01 32.74 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.472 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.6 ppp? -99.57 -15.82 18.48 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.771 -173.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -165.09 166.47 19.12 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.464 0.65 . . . . 0.0 110.899 161.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -175.24 146.91 0.86 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 113.473 -1.694 . . . . 0.0 108.383 -176.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.517 ' O ' ' HG3' ' B' ' 15' ' ' ARG . 2.2 m 165.33 -94.45 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 124.795 1.309 . . . . 0.0 111.718 178.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.581 ' HG2' ' H ' ' B' ' 32' ' ' TYR . 0.0 OUTLIER -63.33 -53.86 46.01 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -157.673 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 65.35 9.1 41.21 Favored Glycine 0 N--CA 1.478 1.487 0 N-CA-C 114.638 0.615 . . . . 0.0 114.638 -167.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.581 ' H ' ' HG2' ' B' ' 30' ' ' GLU . 63.0 t80 71.5 -75.59 0.07 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.563 1.945 . . . . 0.0 109.804 -177.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -167.1 -79.97 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.753 0.421 . . . . 0.0 111.617 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.93 165.32 11.67 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.083 0.953 . . . . 0.0 109.514 -172.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.628 ' HD2' HG23 ' A' ' 59' ' ' THR . 52.9 tttp -60.84 -49.09 78.87 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 119.222 0.919 . . . . 0.0 112.417 -172.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.94 -48.04 67.63 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.684 0.394 . . . . 0.0 110.784 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.0 m -75.1 -23.22 57.91 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.31 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.635 ' HB3' ' HE1' ' B' ' 16' ' ' PHE . . . -67.03 -56.53 9.71 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.903 0.881 . . . . 0.0 110.323 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.37 -47.61 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.291 0.637 . . . . 0.0 110.632 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -55.2 -38.82 68.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.757 0.661 . . . . 0.0 111.399 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.46 ' HB2' ' HE2' ' A' ' 26' ' ' MET . . . -60.8 -54.62 42.92 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.438 ' HA ' HG12 ' B' ' 45' ' ' ILE . 77.5 mt -60.4 -23.16 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 80.0 mt-10 -68.3 -33.85 75.08 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.453 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 14.6 m -54.94 -37.06 65.95 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 123.913 0.758 . . . . 0.0 111.794 171.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.591 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.8 mm -68.2 -41.63 84.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -176.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.594 ' HD2' ' N ' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -71.34 -16.63 62.44 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 124.038 0.935 . . . . 0.0 112.319 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 63.0 mtt180 -69.11 -56.58 7.27 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.57 17.02 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -170.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.591 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 17.7 t -66.62 -35.6 80.56 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.11 -32.05 73.33 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 120.65 0.262 . . . . 0.0 111.176 173.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.8 -1.78 67.58 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 116.027 -0.533 . . . . 0.0 113.011 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.419 ' HB1' ' HA ' ' A' ' 3' ' ' LYS . . . -71.65 164.29 26.18 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.318 0.647 . . . . 0.0 110.572 177.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -93.49 162.06 14.12 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.085 0.554 . . . . 0.0 110.009 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.7 m -112.26 99.92 8.41 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 39.1 t -100.48 128.75 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.183 0.993 . . . . 0.0 109.555 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -109.83 110.17 21.07 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.402 0.681 . . . . 0.0 109.973 173.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.75 -30.78 61.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.066 1.346 . . . . 0.0 112.7 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.487 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 8.2 t -96.87 14.84 23.92 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.541 -165.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.497 1.89 0 C-N-CA 125.914 1.686 . . . . 0.0 114.587 -177.91 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttp . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -66.82 156.63 35.08 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.218 0.533 . . . . 0.0 111.337 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.476 ' HZ3' ' HG2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -166.48 -179.11 4.76 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.611 -166.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 55.5 m-85 -103.87 117.26 33.9 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.976 -179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.476 ' HG2' ' HZ3' ' A' ' 3' ' ' LYS . 59.9 mt-10 -94.24 113.22 25.09 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.5 mt -102.3 119.85 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.603 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 34.4 p90 -138.13 178.45 7.11 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.475 HE21 ' HA2' ' A' ' 12' ' ' GLY . 9.4 pt20 -122.94 152.25 41.02 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 166.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.31 161.44 25.07 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -34.27 62.18 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.519 0.727 . . . . 0.0 111.194 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.56 0.62 0.3 Allowed 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 124.635 1.174 . . . . 0.0 113.768 172.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.475 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 78.91 20.79 69.73 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 124.536 1.065 . . . . 0.0 113.044 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -104.31 103.51 13.27 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.475 0.31 . . . . 0.0 111.438 -167.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -60.33 136.57 58.08 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.52 140.03 13.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 113.475 -1.693 . . . . 0.0 109.175 173.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -108.8 171.68 7.28 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-O 121.417 0.627 . . . . 0.0 109.989 170.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 12.5 ptp180 -148.01 167.51 24.73 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.833 174.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.506 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 12.6 t80 -118.27 132.91 56.27 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 174.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -101.07 -178.23 3.69 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.52 -173.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.13 160.07 38.93 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.517 1.127 . . . . 0.0 108.404 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.2 m -42.98 -44.11 4.49 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -89.54 -3.39 58.35 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 123.439 0.695 . . . . 0.0 111.425 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.91 22.41 8.88 Favored Glycine 0 N--CA 1.475 1.256 0 N-CA-C 114.625 0.61 . . . . 0.0 114.625 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.64 163.85 23.3 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.798 0.439 . . . . 0.0 109.91 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 m -130.47 144.45 51.41 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 172.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.506 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.8 ppp? -126.23 -22.04 4.13 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.329 0.652 . . . . 0.0 112.037 -173.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.735 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 1.4 p90 -149.82 158.51 44.24 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 117.977 0.353 . . . . 0.0 110.243 168.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -168.38 -179.13 3.82 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 125.059 1.474 . . . . 0.0 110.874 178.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 m 93.69 17.47 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.181 1.393 . . . . 0.0 113.24 156.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.674 ' HG2' ' HA ' ' B' ' 27' ' ' PHE . 11.1 tp10 -101.39 -92.96 0.3 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 123.21 0.604 . . . . 0.0 110.484 173.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.49 -20.28 38.98 Favored Glycine 0 N--CA 1.483 1.798 0 C-N-CA 123.372 0.511 . . . . 0.0 112.158 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.409 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 3.3 t80 78.92 -57.29 0.43 Allowed 'General case' 0 C--N 1.352 0.698 0 C-N-CA 126.904 2.082 . . . . 0.0 110.946 172.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -159.62 -55.39 0.06 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.683 0.793 . . . . 0.0 109.671 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.14 -176.2 4.92 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.476 ' O ' HD13 ' A' ' 39' ' ' ILE . 16.9 ptpt -70.1 -39.34 75.59 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.706 0.684 . . . . 0.0 110.019 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.32 88.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.285 0.634 . . . . 0.0 110.487 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m -66.01 -27.5 68.17 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.824 175.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.11 -51.76 29.01 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.804 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' ' 35' ' ' LYS . 4.0 mp -54.37 -53.04 33.5 Favored 'Isoleucine or valine' 0 C--N 1.374 1.646 0 CA-C-N 118.84 0.745 . . . . 0.0 109.945 175.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -57.14 -40.75 77.81 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 123.562 0.745 . . . . 0.0 111.553 -177.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -57.17 -56.56 20.19 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 173.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.7 -24.36 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 C-N-CA 123.753 0.821 . . . . 0.0 112.379 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 25.7 mm-40 -70.24 -26.9 64.06 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.756 -0.59 . . . . 0.0 110.244 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 58.3 m -54.35 -38.39 66.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 123.556 0.535 . . . . 0.0 111.727 165.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.497 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 5.8 mm -68.89 -39.55 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -176.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.592 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -70.41 -15.32 62.83 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.938 0.895 . . . . 0.0 112.51 179.663 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 31.3 mmm180 -63.44 -61.02 2.61 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 123.977 0.798 . . . . 0.0 110.971 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -173.14 19.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.608 0.568 . . . . 0.0 111.254 -173.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.497 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 20.5 t -65.14 -31.75 73.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -176.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.5 -27.38 69.1 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 120.865 0.364 . . . . 0.0 111.59 171.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.78 -0.15 55.24 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 115.784 -0.643 . . . . 0.0 113.195 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.35 166.86 20.74 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 117.338 0.569 . . . . 0.0 110.921 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -96.73 162.97 13.2 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.294 0.638 . . . . 0.0 109.749 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.7 m -115.42 99.47 7.4 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.078 0.951 . . . . 0.0 109.482 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.82 126.6 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.558 0.743 . . . . 0.0 110.021 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.417 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.8 p-10 -99.93 108.33 20.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.349 0.66 . . . . 0.0 110.006 176.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -74.08 -16.5 61.03 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.42 1.088 . . . . 0.0 111.627 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.53 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 11.4 t -97.81 32.97 2.19 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 124.801 1.24 . . . . 0.0 109.596 -178.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 N--CA 1.498 1.925 0 C-N-CA 124.836 1.254 . . . . 0.0 113.071 171.682 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -75.31 147.32 40.26 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.576 0.703 . . . . 0.0 110.555 166.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.96 -179.86 6.01 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 124.947 1.299 . . . . 0.0 109.434 -167.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -104.6 117.29 33.76 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.93 0.892 . . . . 0.0 109.973 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -95.14 112.97 24.61 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 61.3 mt -102.19 119.51 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.445 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.53 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 50.7 p90 -137.17 178.12 7.33 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -122.16 154.2 37.74 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 163.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.37 161.52 23.75 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -53.76 -35.75 61.6 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.695 0.798 . . . . 0.0 110.545 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.69 0.53 0.2 Allowed 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 173.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.51 21.47 69.44 Favored Glycine 0 C--N 1.361 1.96 0 C-N-CA 124.984 1.278 . . . . 0.0 112.901 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.453 ' O ' ' HD2' ' B' ' 15' ' ' ARG . 24.2 mm-40 -104.64 103.19 12.8 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.661 0.384 . . . . 0.0 110.956 -167.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -60.96 135.75 57.88 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 177.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.453 ' HD2' ' O ' ' B' ' 13' ' ' GLU . 2.1 mpt_? -156.0 140.57 16.89 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.924 1.69 . . . . 0.0 107.997 174.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -109.47 172.63 6.74 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-O 121.404 0.621 . . . . 0.0 109.681 168.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -148.52 167.48 25.26 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.04 -1.436 . . . . 0.0 110.427 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.501 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 12.7 t80 -118.44 133.16 56.1 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 173.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -101.16 -178.21 3.68 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.48 -173.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' B' ' 24' ' ' GLU . . . -133.96 159.36 40.96 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.67 1.188 . . . . 0.0 108.277 175.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 65.6 p -42.52 -43.84 3.87 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -90.96 -3.14 57.52 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.692 0.397 . . . . 0.0 111.326 -174.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.36 21.65 8.7 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 114.777 0.671 . . . . 0.0 114.777 176.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.476 ' HB2' ' HB2' ' B' ' 20' ' ' ALA . 12.4 mp0 -80.33 163.58 23.8 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.952 0.501 . . . . 0.0 109.683 177.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 29.5 m -130.2 144.82 51.59 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 171.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.501 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.6 ppp? -127.13 -21.72 3.89 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.319 0.648 . . . . 0.0 112.113 -173.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . 0.674 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 3.2 p90 -149.81 157.33 43.09 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 120.492 0.186 . . . . 0.0 110.959 167.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t -167.7 179.56 4.76 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 124.961 1.413 . . . . 0.0 110.329 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.441 ' HA ' ' HG2' ' B' ' 15' ' ' ARG . 25.2 p 94.78 19.57 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 125.763 1.625 . . . . 0.0 113.517 156.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.735 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -103.95 -94.25 0.33 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 124.504 1.121 . . . . 0.0 109.757 175.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.76 -19.49 44.78 Favored Glycine 0 C--N 1.356 1.652 0 C-N-CA 123.936 0.779 . . . . 0.0 111.785 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.5 t80 78.6 -56.95 0.45 Allowed 'General case' 0 C--N 1.354 0.795 0 C-N-CA 126.987 2.115 . . . . 0.0 111.111 172.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -159.57 -55.74 0.06 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.907 0.883 . . . . 0.0 109.55 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.63 -176.98 5.27 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.451 1.101 . . . . 0.0 108.077 -176.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.414 ' O ' HD13 ' B' ' 39' ' ' ILE . 0.0 OUTLIER -69.38 -40.1 77.62 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.837 0.744 . . . . 0.0 110.056 -179.436 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.1 -46.07 89.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.983 0.513 . . . . 0.0 110.557 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 18.8 m -66.31 -27.43 67.91 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.827 0.851 . . . . 0.0 110.882 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.26 -51.13 32.85 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.97 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.415 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 3.6 mp -54.35 -52.69 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.846 0.748 . . . . 0.0 109.878 175.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -58.21 -40.78 82.48 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.845 0.858 . . . . 0.0 110.908 -176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -57.52 -56.07 26.64 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.407 HD12 HD11 ' B' ' 6' ' ' ILE . 77.7 mt -57.74 -24.28 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 123.804 0.842 . . . . 0.0 112.306 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' B' ' 39' ' ' ILE . 22.9 mm-40 -70.86 -26.41 63.25 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.831 -0.543 . . . . 0.0 110.356 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.454 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 27.1 m -53.95 -38.61 65.13 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 123.356 0.41 . . . . 0.0 111.8 164.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.495 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.1 mm -69.0 -39.33 79.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.599 ' HD2' ' N ' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -70.17 -15.67 62.98 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.877 0.871 . . . . 0.0 112.355 179.603 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -63.67 -60.92 2.7 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.907 0.755 . . . . 0.0 110.981 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -172.77 19.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.449 0.468 . . . . 0.0 111.191 -173.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.495 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 21.9 t -65.01 -31.79 73.2 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.736 -0.602 . . . . 0.0 112.558 -175.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.0 -28.78 69.81 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 122.577 0.351 . . . . 0.0 111.538 171.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.69 0.82 56.7 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-O 119.487 -0.618 . . . . 0.0 113.648 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.14 166.79 20.71 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 117.415 0.608 . . . . 0.0 110.936 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -97.37 163.56 12.83 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 31.4 m -115.21 100.09 7.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.96 0.904 . . . . 0.0 109.582 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 20.9 t -106.36 125.91 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.584 0.753 . . . . 0.0 109.53 -177.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.66 109.73 22.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.02 0.528 . . . . 0.0 109.747 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 64.0 mt -76.29 -20.18 57.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.796 0.838 . . . . 0.0 112.657 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.603 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.2 t -93.27 15.88 14.49 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-O 121.134 0.492 . . . . 0.0 111.367 -171.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 165.233 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.1 ttm . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.52 149.12 49.28 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.33 0.586 . . . . 0.0 110.979 171.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.23 175.37 9.32 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.051 -171.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -100.83 108.08 19.78 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.358 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -93.51 110.07 21.66 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.1 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mt -101.19 118.64 48.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -175.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.587 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 45.1 p90 -137.89 -177.56 4.87 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.509 HE21 ' HA2' ' A' ' 12' ' ' GLY . 10.9 pt20 -127.19 156.29 42.06 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 166.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.452 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 33.0 t70 -84.95 161.35 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -48.84 -34.5 12.62 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.784 1.234 . . . . 0.0 112.953 175.594 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.468 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -73.1 9.76 1.13 Allowed 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 124.287 1.035 . . . . 0.0 112.744 175.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.509 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 74.87 16.32 80.49 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 124.657 1.123 . . . . 0.0 113.041 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 41.8 mt-10 -89.48 96.4 10.69 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 116.707 0.254 . . . . 0.0 111.048 -167.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.41 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 84.3 m-85 -55.6 113.9 1.64 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.564 0.697 . . . . 0.0 111.809 175.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -136.2 135.99 39.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 113.246 -1.797 . . . . 0.0 107.619 -178.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -123.38 169.7 11.08 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.098 0.475 . . . . 0.0 109.746 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -140.72 172.17 13.07 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.815 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -126.32 140.5 52.46 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 167.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -98.68 -177.58 3.71 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.152 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.86 160.27 31.43 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.849 1.259 . . . . 0.0 107.776 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -50.69 -29.18 10.57 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.482 1.113 . . . . 0.0 113.904 177.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -89.21 7.34 35.86 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.406 0.682 . . . . 0.0 111.541 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.47 32.37 47.32 Favored Glycine 0 C--N 1.346 1.087 0 C-N-CA 123.054 0.359 . . . . 0.0 113.051 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -107.13 125.23 50.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.523 0.729 . . . . 0.0 109.939 -174.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -78.6 133.54 37.28 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 170.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.448 ' HE1' ' HB3' ' B' ' 41' ' ' ALA . 1.3 ppp? -116.13 -18.9 10.49 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.855 -174.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.575 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 0.1 OUTLIER -163.51 168.76 19.73 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.575 0.35 . . . . 0.0 111.602 162.659 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.9 t -176.26 -176.42 0.78 Allowed 'General case' 0 N--CA 1.471 0.601 0 O-C-N 125.013 1.446 . . . . 0.0 111.739 -170.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 m 92.99 -7.03 0.16 Allowed 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.371 1.068 . . . . 0.0 112.947 156.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.528 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 10.5 tp10 -79.99 -88.59 0.07 Allowed 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 176.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 92.74 -16.54 59.99 Favored Glycine 0 N--CA 1.477 1.374 0 CA-C-O 119.947 -0.363 . . . . 0.0 112.405 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.528 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 69.2 t80 75.63 -65.22 0.33 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.548 1.939 . . . . 0.0 111.254 176.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -150.51 -58.22 0.18 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.486 0.715 . . . . 0.0 109.851 -177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.54 -176.41 5.23 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.407 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 59.7 pttt -70.0 -41.51 74.27 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.185 0.902 . . . . 0.0 111.587 -176.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.83 87.02 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.826 0.451 . . . . 0.0 110.586 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 m -66.85 -24.46 66.15 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.143 176.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 35' ' ' LYS . . . -68.72 -43.98 74.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.568 0.747 . . . . 0.0 110.336 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.451 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.6 mp -55.69 -48.39 77.9 Favored 'Isoleucine or valine' 0 C--N 1.368 1.373 0 CA-C-O 119.179 -0.438 . . . . 0.0 110.262 172.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -56.72 -41.25 77.13 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.11 0.564 . . . . 0.0 111.274 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.433 ' HB3' ' HE3' ' B' ' 26' ' ' MET . . . -56.9 -55.98 27.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.919 171.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -58.33 -27.56 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.783 0.833 . . . . 0.0 112.167 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 48.4 mt-10 -67.19 -29.51 69.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.671 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -56.97 -40.56 76.75 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.536 0.523 . . . . 0.0 111.589 168.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.473 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 4.3 mm -68.45 -44.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.106 -174.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 46' ' ' LYS . 9.5 mmmm -58.41 -23.24 56.7 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 114.707 -1.133 . . . . 0.0 113.769 -176.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -66.03 -55.67 15.47 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.2 0.937 . . . . 0.0 111.861 -175.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -175.75 18.85 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 123.525 0.516 . . . . 0.0 111.518 -168.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.473 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.7 t -64.24 -32.71 74.41 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -176.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.23 -25.72 67.97 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.74 0.416 . . . . 0.0 111.924 171.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.07 -0.49 51.42 Favored Glycine 0 C--N 1.35 1.356 0 N-CA-C 114.507 0.563 . . . . 0.0 114.507 173.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.87 170.55 5.28 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.544 0.738 . . . . 0.0 111.887 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -97.33 160.3 14.41 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 121.999 -0.438 . . . . 0.0 110.221 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.419 HG21 HD12 ' B' ' 42' ' ' ILE . 25.2 m -114.8 99.07 7.22 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.427 0.691 . . . . 0.0 109.322 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 t -100.03 132.04 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.574 1.149 . . . . 0.0 109.915 -176.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -110.11 110.41 21.29 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.513 0.725 . . . . 0.0 109.563 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.23 -17.13 29.67 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.828 1.251 . . . . 0.0 112.893 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.63 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 15.3 t -97.52 -1.92 42.99 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 118.328 -0.844 . . . . 0.0 111.971 -170.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.481 1.125 0 O-C-N 125.798 1.936 . . . . 0.0 113.557 -165.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.67 138.68 57.6 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.331 0.586 . . . . 0.0 110.831 167.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.54 174.89 12.03 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 124.949 1.3 . . . . 0.0 109.856 -171.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.526 ' HZ ' HG22 ' B' ' 45' ' ' ILE . 90.5 m-85 -100.71 107.91 19.64 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.187 0.995 . . . . 0.0 109.458 -177.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -93.53 110.34 21.93 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -101.31 118.31 47.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.63 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 37.1 p90 -137.59 -177.74 4.93 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -127.42 156.05 42.68 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 166.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.46 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 23.0 t70 -84.64 161.99 19.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -49.68 -35.53 21.9 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.312 1.445 . . . . 0.0 112.063 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.38 9.48 0.79 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.071 0.948 . . . . 0.0 112.837 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.86 16.76 79.26 Favored Glycine 0 C--N 1.346 1.087 0 C-N-CA 124.986 1.279 . . . . 0.0 112.803 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.46 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 22.7 mm-40 -88.3 95.65 10.27 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.001 0.52 . . . . 0.0 111.038 -168.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -55.26 114.04 1.63 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.464 0.65 . . . . 0.0 111.865 174.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -136.88 135.74 38.09 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 125.973 1.709 . . . . 0.0 107.869 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -123.53 169.77 11.08 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.158 0.504 . . . . 0.0 109.746 172.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -141.05 172.46 12.65 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.905 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -126.33 140.34 52.59 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 167.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -97.93 -177.61 3.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.836 -1.074 . . . . 0.0 111.316 -176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.25 159.88 33.0 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.744 1.217 . . . . 0.0 107.769 173.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.2 p -50.76 -28.74 9.83 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.0 7.03 36.86 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.731 0.812 . . . . 0.0 111.265 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.12 33.96 43.27 Favored Glycine 0 C--N 1.347 1.173 0 C-N-CA 123.052 0.358 . . . . 0.0 112.744 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -109.12 124.8 51.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.599 0.76 . . . . 0.0 109.725 -174.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -78.09 134.29 37.74 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 171.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.433 ' HE3' ' HB3' ' A' ' 41' ' ' ALA . 1.4 ppp? -116.88 -18.98 10.04 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.8 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.01 167.71 22.06 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.851 0.46 . . . . 0.0 111.898 162.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -174.76 -176.09 0.98 Allowed 'General case' 0 C--O 1.241 0.629 0 O-C-N 125.029 1.456 . . . . 0.0 111.563 -171.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t 93.14 -5.05 0.14 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.85 1.26 . . . . 0.0 113.465 156.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.575 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -81.58 -90.06 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.446 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.25 -16.22 61.1 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 112.302 -0.319 . . . . 0.0 112.302 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 32.2 t80 74.72 -65.59 0.34 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.551 1.94 . . . . 0.0 111.401 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -149.97 -58.6 0.19 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.709 0.804 . . . . 0.0 109.995 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.12 -175.93 5.02 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.428 1.091 . . . . 0.0 108.206 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -41.83 73.75 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.136 0.88 . . . . 0.0 110.993 -176.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.56 88.87 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.788 0.435 . . . . 0.0 110.53 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 66.5 m -66.27 -24.29 66.54 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.608 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.69 75.33 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.341 0.656 . . . . 0.0 110.376 176.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 mp -56.54 -47.86 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 118.212 0.46 . . . . 0.0 110.199 172.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -56.67 -41.21 76.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 123.543 0.527 . . . . 0.0 111.46 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.448 ' HB3' ' HE1' ' A' ' 26' ' ' MET . . . -56.7 -55.98 27.26 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.83 171.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.419 HD12 HG21 ' A' ' 54' ' ' THR . 64.0 mt -58.65 -27.39 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.434 0.694 . . . . 0.0 112.06 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.406 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 45.4 mt-10 -66.92 -29.41 69.28 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.819 0.448 . . . . 0.0 110.67 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.8 m -57.97 -40.09 79.74 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.658 0.599 . . . . 0.0 111.515 169.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.526 HG22 ' HZ ' ' B' ' 4' ' ' PHE . 4.5 mm -68.55 -44.51 82.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -174.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.4 mmmm -59.58 -23.37 62.88 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 114.722 -1.126 . . . . 0.0 113.215 -175.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -64.36 -55.82 18.55 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.322 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -176.28 18.55 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 122.986 0.514 . . . . 0.0 111.648 -167.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.466 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.4 t -64.97 -32.66 74.49 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 121.527 -0.733 . . . . 0.0 112.421 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.7 -24.9 67.9 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 122.799 0.44 . . . . 0.0 111.743 171.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.08 -1.08 51.48 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 114.504 0.562 . . . . 0.0 114.504 173.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.95 170.63 5.27 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.659 0.784 . . . . 0.0 111.745 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.92 160.58 14.21 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 122.014 -0.429 . . . . 0.0 110.395 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 26.3 m -114.97 99.32 7.37 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.545 0.738 . . . . 0.0 109.433 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.1 t -100.3 131.92 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.774 1.23 . . . . 0.0 109.709 -176.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -109.74 109.93 20.78 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.733 0.813 . . . . 0.0 109.724 176.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -89.02 -18.31 27.61 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.962 1.305 . . . . 0.0 112.883 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.587 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 7.8 t -80.54 16.94 1.2 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.954 0.407 . . . . 0.0 111.973 -172.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 167.163 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.464 ' SD ' ' ND2' ' B' ' 48' ' ' ASN . 51.8 ttm . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.558 0.218 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -67.4 165.77 15.88 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.545 0.738 . . . . 0.0 112.714 173.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.19 179.34 7.99 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.916 -167.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -100.51 124.9 46.67 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 124.189 0.996 . . . . 0.0 109.086 177.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -101.23 104.53 15.58 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.748 0.419 . . . . 0.0 110.381 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.5 mt -95.32 126.65 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.51 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 13.4 p90 -154.25 -174.02 4.8 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -127.31 164.39 21.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 165.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -113.33 176.19 5.13 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -39.14 -39.37 0.58 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 127.305 2.242 . . . . 0.0 114.245 -173.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.4 8.56 3.33 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.56 25.14 71.4 Favored Glycine 0 C--N 1.357 1.737 0 C-N-CA 124.1 0.857 . . . . 0.0 112.124 -174.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -98.6 123.88 43.05 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -172.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -83.0 128.03 34.1 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -173.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.19 137.46 30.83 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 114.421 -1.263 . . . . 0.0 108.88 176.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -106.96 161.12 15.01 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.233 0.54 . . . . 0.0 110.007 169.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HG3' ' HE1' ' A' ' 7' ' ' TYR . 59.0 mtp180 -113.71 164.9 13.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.136 1.374 . . . . 0.0 107.913 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.548 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 17.2 t80 -124.97 127.19 46.65 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 156.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -98.46 -179.4 4.32 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.155 -171.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.93 158.36 39.74 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.579 1.152 . . . . 0.0 108.636 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.8 p -46.03 -39.24 8.88 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -88.79 1.13 55.76 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.235 0.614 . . . . 0.0 111.57 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.18 23.38 32.27 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 123.235 0.445 . . . . 0.0 113.988 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -83.24 154.63 24.09 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 173.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.9 m -110.78 138.69 46.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 168.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.548 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.7 ppp? -115.62 -31.91 5.7 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.374 0.67 . . . . 0.0 111.003 -175.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.482 ' N ' ' SD ' ' A' ' 26' ' ' MET . 1.3 p90 -143.69 159.77 41.89 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.526 0.679 . . . . 0.0 109.491 165.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.3 p -170.53 -177.86 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.464 -1.698 . . . . 0.0 109.782 176.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t 68.3 39.05 2.37 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.223 0.609 . . . . 0.0 112.027 156.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -72.57 -33.07 66.51 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.729 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.67 52.47 42.49 Favored Glycine 0 C--N 1.359 1.827 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -71.08 -65.94 0.68 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.403 0.281 . . . . 0.0 110.391 -162.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -167.73 -71.05 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.035 0.445 . . . . 0.0 110.381 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.17 179.78 6.43 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.78 0.832 . . . . 0.0 109.727 -172.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.483 ' NZ ' HG23 ' B' ' 58' ' ' THR . 17.7 ttmm -65.59 -50.4 65.24 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.459 0.572 . . . . 0.0 111.004 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.31 81.32 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.898 0.479 . . . . 0.0 111.018 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.4 m -66.22 -35.62 80.92 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.794 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.32 77.43 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 123.709 0.804 . . . . 0.0 110.788 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -56.06 -48.2 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.271 0.628 . . . . 0.0 111.58 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -59.04 -38.54 79.57 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 123.528 0.518 . . . . 0.0 111.183 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.494 ' HB1' ' HE2' ' B' ' 26' ' ' MET . . . -59.17 -57.45 12.99 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.008 172.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.17 -26.59 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.032 0.533 . . . . 0.0 111.707 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 36.6 mt-10 -64.86 -34.28 78.01 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-O 119.047 -0.501 . . . . 0.0 110.14 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 33.5 m -53.33 -40.3 64.75 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 124.103 0.877 . . . . 0.0 111.749 171.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.576 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.5 mm -67.45 -44.34 86.9 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -175.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.523 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 8.4 mmmm -61.66 -29.44 70.07 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.206 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.9 mmt180 -62.49 -52.8 62.05 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 124.256 0.972 . . . . 0.0 112.226 -174.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -171.99 15.74 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -168.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.576 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 17.4 t -67.58 -36.12 80.31 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.513 -0.742 . . . . 0.0 112.992 -172.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.05 -27.88 69.21 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 122.507 0.323 . . . . 0.0 111.598 173.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.69 -3.34 56.19 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-O 119.457 -0.635 . . . . 0.0 113.953 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.44 164.83 15.51 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.771 0.829 . . . . 0.0 111.376 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -90.53 157.13 17.69 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.484 0.313 . . . . 0.0 110.359 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 m -115.08 99.77 7.68 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.673 0.789 . . . . 0.0 109.67 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 81.3 t -104.13 130.6 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.026 1.33 . . . . 0.0 110.426 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -109.65 123.19 49.04 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.283 0.563 . . . . 0.0 111.068 174.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.67 -21.83 18.54 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.827 1.251 . . . . 0.0 113.008 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.564 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 13.1 t -88.99 -15.55 33.9 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 119.239 0.927 . . . . 0.0 112.805 -167.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 118.241 -0.885 . . . . 0.0 109.533 -173.824 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.0 ttm . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -151.24 170.92 18.31 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.455 0.702 . . . . 0.0 111.284 174.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -165.31 179.44 6.23 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.672 -167.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.414 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 96.2 m-85 -100.21 124.6 45.84 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.453 1.101 . . . . 0.0 109.063 177.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -101.14 104.49 15.58 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.097 0.559 . . . . 0.0 110.203 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 14.4 mt -95.92 126.64 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.596 ' HE1' ' HG3' ' B' ' 17' ' ' ARG . 47.4 p90 -153.96 -174.37 4.93 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.125 0.488 . . . . 0.0 109.771 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -126.79 164.16 21.98 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 164.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.75 177.93 4.49 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -41.13 -38.95 1.15 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 127.03 2.132 . . . . 0.0 113.827 -174.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.58 7.66 4.32 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.436 0.694 . . . . 0.0 112.793 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.64 25.32 72.83 Favored Glycine 0 C--N 1.355 1.604 0 C-N-CA 124.022 0.82 . . . . 0.0 112.471 -174.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -100.72 112.77 25.24 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -66.64 125.36 25.56 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.601 ' HB3' ' HA ' ' B' ' 29' ' ' SER . 0.7 OUTLIER -140.46 137.28 33.78 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.715 176.393 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -107.27 161.36 14.86 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 120.998 0.427 . . . . 0.0 110.157 167.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.596 ' HG3' ' HE1' ' B' ' 7' ' ' TYR . 60.7 mtt180 -113.5 165.39 12.53 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.933 1.293 . . . . 0.0 108.463 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.542 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.8 t80 -125.25 127.28 46.48 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 157.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -98.45 -179.16 4.25 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.336 -171.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.15 158.46 39.62 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.601 -1.182 . . . . 0.0 108.43 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.1 m -46.47 -38.72 9.58 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 124.94 1.296 . . . . 0.0 114.479 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.407 HD22 ' HG2' ' B' ' 24' ' ' GLU . 1.4 p-10 -90.28 1.78 56.15 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 122.704 0.401 . . . . 0.0 111.791 -176.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.39 22.03 33.12 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 114.189 0.436 . . . . 0.0 114.189 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.407 ' HG2' HD22 ' B' ' 22' ' ' ASN . 50.8 mm-40 -83.0 154.51 24.43 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.71 0.404 . . . . 0.0 110.115 172.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 34.1 m -110.35 138.03 47.28 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 168.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.542 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.8 ppp? -114.88 -31.85 5.97 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.159 0.584 . . . . 0.0 111.079 -175.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . 0.466 ' N ' ' SD ' ' B' ' 26' ' ' MET . 1.3 p90 -143.75 159.67 42.09 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.416 0.627 . . . . 0.0 109.523 165.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.5 p -170.3 -177.7 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 113.504 -1.68 . . . . 0.0 109.745 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.601 ' HA ' ' HB3' ' B' ' 15' ' ' ARG . 17.4 m 67.8 38.72 2.83 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.177 155.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.22 -32.72 67.0 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.653 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.61 51.94 47.4 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -70.86 -65.82 0.69 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 122.346 0.259 . . . . 0.0 110.371 -162.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -167.73 -71.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.593 0.357 . . . . 0.0 110.603 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -139.62 179.75 6.38 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.617 0.767 . . . . 0.0 109.597 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -64.15 -51.42 63.96 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.317 0.647 . . . . 0.0 111.234 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.67 81.34 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.28 0.632 . . . . 0.0 110.964 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 13.6 m -66.95 -35.71 80.58 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.533 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.47 80.41 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.526 0.731 . . . . 0.0 110.692 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.51 -47.82 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.369 0.668 . . . . 0.0 111.33 174.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -58.34 -39.14 78.67 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 123.598 0.561 . . . . 0.0 111.288 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.491 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -58.88 -57.89 11.04 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.956 172.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.417 HG23 ' HD3' ' B' ' 46' ' ' LYS . 63.8 mt -56.39 -27.44 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.358 0.663 . . . . 0.0 111.653 178.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.483 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 41.8 mt-10 -64.21 -34.74 78.79 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 118.866 -0.587 . . . . 0.0 109.869 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 16.5 m -53.2 -40.16 64.23 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 124.06 0.85 . . . . 0.0 111.773 171.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.571 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.7 mm -67.45 -44.24 86.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -175.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.6 mmmm -62.81 -28.64 70.14 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.812 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 32.7 mmt180 -62.27 -53.38 55.98 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.924 0.765 . . . . 0.0 111.714 -174.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.464 ' ND2' ' SD ' ' A' ' 1' ' ' MET . 5.2 t30 -171.51 15.53 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -168.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.571 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 12.7 t -67.24 -35.77 80.24 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.328 -0.857 . . . . 0.0 113.016 -172.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.24 -27.63 69.13 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 122.582 0.353 . . . . 0.0 111.785 173.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.96 -3.76 55.76 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-O 119.606 -0.552 . . . . 0.0 113.871 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.41 165.05 15.0 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.714 0.806 . . . . 0.0 111.402 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.43 157.87 16.82 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 39.2 m -115.5 100.17 7.88 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.643 0.777 . . . . 0.0 109.417 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 87.2 t -104.18 130.72 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.801 1.241 . . . . 0.0 110.414 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -109.19 122.03 46.43 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.542 0.737 . . . . 0.0 110.755 174.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -94.34 -21.71 18.81 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.892 1.277 . . . . 0.0 112.852 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.51 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 10.3 t -85.92 -4.43 59.16 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 118.412 0.551 . . . . 0.0 111.525 -170.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 47.0 p . . . . . 0 N--CA 1.495 1.815 0 C-N-CA 127.084 2.154 . . . . 0.0 115.083 -177.686 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.52 167.95 9.95 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.311 0.577 . . . . 0.0 111.681 171.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -162.88 178.38 8.45 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.216 -170.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.403 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 91.2 m-85 -99.09 121.73 41.37 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 114.821 -1.082 . . . . 0.0 108.84 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -95.93 110.84 22.98 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mt -100.99 121.99 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.615 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 35.2 p90 -143.07 -178.42 5.83 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.122 0.486 . . . . 0.0 109.766 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 10.7 pt20 -121.84 150.0 42.55 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.21 -1.034 . . . . 0.0 108.21 166.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -84.06 161.02 20.83 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 177.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -52.93 -35.42 58.47 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.608 1.163 . . . . 0.0 111.829 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.17 6.37 0.56 Allowed 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 123.71 0.804 . . . . 0.0 113.011 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.42 17.5 77.76 Favored Glycine 0 C--N 1.349 1.277 0 C-N-CA 125.061 1.315 . . . . 0.0 113.195 -176.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 41.0 mt-10 -96.49 98.7 10.44 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -170.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 96.0 m-85 -51.19 114.47 1.21 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.701 0.8 . . . . 0.0 112.695 176.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 17.6 mmt180 -128.53 134.5 48.68 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 113.308 -1.769 . . . . 0.0 108.379 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -118.93 164.75 14.99 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.125 0.488 . . . . 0.0 109.917 170.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -142.21 170.73 15.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.398 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.515 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.6 t80 -124.79 135.02 52.59 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 173.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -101.47 -178.92 3.87 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.444 -173.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.78 154.95 47.46 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.012 -1.449 . . . . 0.0 107.85 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.6 p -47.75 -25.29 1.19 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -99.95 11.79 38.41 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.189 0.596 . . . . 0.0 111.658 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.44 16.79 72.83 Favored Glycine 0 N--CA 1.471 1.023 0 N-CA-C 114.616 0.606 . . . . 0.0 114.616 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -85.03 152.18 23.62 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.896 0.478 . . . . 0.0 110.228 175.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.5 m -108.39 147.1 32.05 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.439 0.696 . . . . 0.0 109.384 172.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.515 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 2.0 ppp? -122.02 -32.23 3.75 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.814 0.846 . . . . 0.0 112.058 -176.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.446 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 2.1 p90 -142.29 155.44 45.21 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 167.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -154.24 176.88 11.75 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.67 1.188 . . . . 0.0 110.241 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.447 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 49.7 m 62.36 49.29 4.26 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 150.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' OE2' ' HA ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -68.26 -42.75 79.19 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.195 170.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.37 53.9 36.04 Favored Glycine 0 C--N 1.354 1.574 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -75.07 -59.33 2.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.426 0.29 . . . . 0.0 110.225 -166.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -167.01 -65.04 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 120.838 0.351 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.04 179.15 8.73 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.574 0.75 . . . . 0.0 109.457 -171.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -43.45 75.39 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.729 0.412 . . . . 0.0 110.659 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.8 -42.31 79.28 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.336 0.589 . . . . 0.0 110.311 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 m -69.84 -29.22 66.43 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.788 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.86 63.5 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 123.633 0.773 . . . . 0.0 110.47 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -55.48 -50.7 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.255 0.622 . . . . 0.0 110.668 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -57.78 -39.85 78.43 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 123.633 0.583 . . . . 0.0 111.746 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB2' ' HE2' ' B' ' 26' ' ' MET . . . -58.46 -57.34 13.39 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.736 172.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.91 -26.46 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.684 0.794 . . . . 0.0 111.959 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' HA ' ' HG2' ' A' ' 46' ' ' LYS . 42.4 mt-10 -66.56 -31.67 72.52 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 119.309 -0.377 . . . . 0.0 110.491 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 19.9 m -53.66 -39.56 65.17 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 123.52 0.512 . . . . 0.0 111.612 168.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.6 mm -71.02 -45.66 71.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.135 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.8 mmmm -59.06 -30.69 68.24 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.386 1.074 . . . . 0.0 112.254 -178.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -58.44 -69.42 0.19 Allowed 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.885 -1.507 . . . . 0.0 112.654 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -157.79 16.47 0.24 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -171.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.542 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 13.7 t -66.22 -32.62 74.15 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -172.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -60.66 -31.3 70.53 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.791 0.436 . . . . 0.0 111.944 171.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.28 -0.56 55.8 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-O 119.573 -0.57 . . . . 0.0 113.853 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.16 165.54 9.11 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.789 0.836 . . . . 0.0 111.453 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.555 ' HB2' ' HB3' ' B' ' 3' ' ' LYS . 6.2 m-20 -89.18 160.38 17.0 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.5 m -121.23 99.26 6.39 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 121.427 0.632 . . . . 0.0 109.837 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.6 t -100.43 127.07 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.061 1.344 . . . . 0.0 110.071 -175.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -108.09 122.5 47.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.563 0.745 . . . . 0.0 110.413 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -100.88 -14.09 18.09 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 124.823 1.249 . . . . 0.0 112.832 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.636 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.7 t -91.23 -10.06 42.97 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -170.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.488 1.44 0 CA-C-N 119.017 0.826 . . . . 0.0 111.861 -179.32 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.0 168.44 27.12 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.246 1.018 . . . . 0.0 109.465 175.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -164.37 178.52 7.42 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.979 -168.304 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.414 ' HZ ' HG23 ' B' ' 45' ' ' ILE . 95.5 m-85 -98.68 120.8 39.73 Favored 'General case' 0 C--O 1.228 -0.06 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.829 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -95.09 110.6 22.51 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 24.3 mt -100.49 122.4 52.41 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.636 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 39.6 p90 -142.76 -178.42 5.79 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.144 0.497 . . . . 0.0 109.819 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.487 ' HA ' ' HA ' ' B' ' 14' ' ' TYR . 11.0 pt20 -121.83 150.24 42.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 165.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.6 ' HB2' ' HD2' ' B' ' 15' ' ' ARG . 29.6 t70 -84.2 161.28 20.6 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 124.232 1.013 . . . . 0.0 108.567 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -34.32 58.8 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.471 1.108 . . . . 0.0 112.157 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.59 6.42 0.64 Allowed 'General case' 0 CA--C 1.566 1.581 0 C-N-CA 124.168 0.987 . . . . 0.0 113.132 172.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . 0.43 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 72.23 17.49 77.46 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 124.82 1.2 . . . . 0.0 113.13 -176.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -96.7 99.0 10.62 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -170.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.487 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 93.2 m-85 -51.91 114.55 1.33 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.901 0.858 . . . . 0.0 112.753 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.6 ' HD2' ' HB2' ' B' ' 9' ' ' ASP . 93.7 mtt180 -129.69 134.34 47.59 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 113.314 -1.766 . . . . 0.0 109.283 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -118.59 164.17 15.72 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.483 0.658 . . . . 0.0 109.806 171.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -141.89 171.05 14.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.595 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.537 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.3 t80 -124.84 134.89 52.57 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 173.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -101.08 -179.2 3.97 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.372 -173.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.1 155.17 47.41 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.332 1.453 . . . . 0.0 107.77 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -48.24 -25.42 1.52 Allowed 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 -176.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -100.02 13.09 35.17 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.47 0.708 . . . . 0.0 112.447 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.44 16.72 75.31 Favored Glycine 0 N--CA 1.473 1.113 0 N-CA-C 114.324 0.49 . . . . 0.0 114.324 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -84.42 152.43 24.03 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.037 0.535 . . . . 0.0 110.479 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 53.2 m -108.8 147.47 32.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.502 0.721 . . . . 0.0 109.292 172.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.537 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.9 ppp? -122.45 -32.54 3.6 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.707 0.803 . . . . 0.0 111.721 -176.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . 0.439 ' HD2' ' HE3' ' B' ' 26' ' ' MET . 2.0 p90 -141.7 155.98 45.64 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 167.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 66.9 p -155.32 176.76 12.16 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 124.685 1.241 . . . . 0.0 110.462 176.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.7 t 62.94 48.86 3.75 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 150.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.411 ' OE2' ' HA ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -67.68 -42.53 81.95 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.23 170.613 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.85 53.42 37.83 Favored Glycine 0 C--N 1.354 1.537 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -176.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -74.94 -59.13 2.87 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.624 0.37 . . . . 0.0 110.308 -166.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -167.34 -65.03 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.784 0.434 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.64 178.58 9.45 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.625 0.77 . . . . 0.0 109.647 -171.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -70.09 -41.13 74.46 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 118.189 0.449 . . . . 0.0 111.073 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.44 81.67 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.108 0.48 . . . . 0.0 110.433 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 m -69.43 -29.34 67.03 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.877 177.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.11 -48.94 64.07 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 123.739 0.816 . . . . 0.0 110.485 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -55.65 -50.65 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.056 0.542 . . . . 0.0 110.938 173.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -58.05 -39.81 79.37 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 123.708 0.63 . . . . 0.0 111.241 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.473 ' HB1' ' HE3' ' A' ' 26' ' ' MET . . . -58.31 -57.45 12.85 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.794 172.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.431 HG22 ' HD3' ' B' ' 46' ' ' LYS . 84.2 mt -56.75 -26.6 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.774 0.829 . . . . 0.0 111.837 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 39.5 mt-10 -66.22 -32.05 73.25 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-O 118.975 -0.536 . . . . 0.0 110.675 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 42.1 m -53.68 -39.37 65.07 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 123.943 0.777 . . . . 0.0 111.472 169.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.543 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.4 mm -70.95 -45.46 72.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.273 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.545 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.7 mmmm -59.99 -30.31 69.04 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.326 1.05 . . . . 0.0 111.69 -177.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 25.5 mmm180 -58.27 -70.29 0.15 Allowed 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 114.062 -1.427 . . . . 0.0 112.196 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -156.43 15.71 0.32 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 122.882 0.473 . . . . 0.0 111.931 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.543 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 12.4 t -66.5 -32.29 73.56 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -171.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -60.46 -31.54 70.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.885 0.474 . . . . 0.0 111.863 171.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.9 0.43 55.12 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-O 119.497 -0.613 . . . . 0.0 114.007 175.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.24 165.17 9.82 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.826 0.85 . . . . 0.0 111.336 176.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -89.58 161.02 16.38 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -121.07 99.08 6.29 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 121.242 0.544 . . . . 0.0 109.824 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 79.7 t -99.75 127.38 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.118 1.367 . . . . 0.0 110.183 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -108.15 122.2 46.41 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.465 0.706 . . . . 0.0 110.323 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -100.82 -16.45 17.28 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.698 1.199 . . . . 0.0 112.642 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.615 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.9 t -84.83 -14.8 46.9 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 118.624 0.647 . . . . 0.0 112.509 -170.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.45 HG23 HG21 ' B' ' 58' ' ' THR . 31.1 p . . . . . 0 N--CA 1.479 1.0 0 C-N-CA 122.832 0.453 . . . . 0.0 110.188 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttm . . . . . 0 N--CA 1.483 1.189 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.88 162.82 29.39 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.427 1.091 . . . . 0.0 109.517 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.449 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -162.77 175.28 11.45 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.789 -176.646 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -99.55 117.27 33.58 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.156 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -96.09 108.68 21.14 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.41 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 26.4 mt -99.72 122.82 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -176.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.553 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 50.1 p90 -138.45 -178.49 5.32 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 122.825 0.45 . . . . 0.0 109.959 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -127.05 152.74 46.87 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 167.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.578 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 27.3 t70 -100.23 179.81 4.36 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-O 118.591 -0.719 . . . . 0.0 109.632 -178.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -48.66 -36.8 16.8 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 125.639 1.576 . . . . 0.0 112.991 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.607 ' HB1' ' HG3' ' A' ' 13' ' ' GLU . . . -87.3 16.71 4.99 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.437 0.695 . . . . 0.0 111.224 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.26 21.71 77.31 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.442 -173.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.607 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 48.4 mt-10 -78.71 90.34 4.61 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.806 0.303 . . . . 0.0 110.643 -167.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -50.55 104.21 0.07 Allowed 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 122.639 1.209 . . . . 0.0 112.011 170.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -132.72 134.14 44.4 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 111.719 -2.491 . . . . 0.0 108.3 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -113.93 169.05 9.28 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.671 0.748 . . . . 0.0 109.95 171.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -142.04 169.54 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.175 -1.375 . . . . 0.0 110.109 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.434 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 23.1 t80 -126.84 140.89 52.02 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -95.68 -179.04 4.59 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.226 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.74 159.7 36.5 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.066 0.946 . . . . 0.0 108.682 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.3 m -55.37 -25.0 32.74 Favored 'General case' 0 CA--C 1.559 1.309 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -80.88 -12.82 59.35 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 123.325 0.65 . . . . 0.0 111.48 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.93 64.67 1.65 Allowed Glycine 0 C--N 1.341 0.853 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 -174.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -148.57 153.67 38.69 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.899 0.88 . . . . 0.0 109.066 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.9 m -89.85 136.12 33.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.413 0.625 . . . . 0.0 109.708 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.485 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 1.8 ppp? -115.92 -25.68 7.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 114.594 -1.184 . . . . 0.0 112.172 -174.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.418 ' HD2' ' HE3' ' A' ' 26' ' ' MET . 2.0 p90 -147.8 160.79 42.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 167.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.4 ' H ' ' HB3' ' B' ' 30' ' ' GLU . 67.8 p -166.26 -178.74 4.7 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.954 1.409 . . . . 0.0 110.123 177.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.2 m 62.85 35.03 13.9 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.004 0.922 . . . . 0.0 113.06 154.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HB3' ' H ' ' B' ' 28' ' ' SER . 0.0 OUTLIER -58.38 -42.04 86.15 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.954 165.838 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.2 53.1 42.32 Favored Glycine 0 C--N 1.359 1.815 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -72.84 -57.16 4.28 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.575 0.221 . . . . 0.0 111.33 -162.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -168.38 -75.56 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.646 0.379 . . . . 0.0 110.987 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.5 -177.91 6.24 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.9 0.88 . . . . 0.0 108.823 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.505 ' NZ ' HG22 ' B' ' 58' ' ' THR . 17.7 ttmm -62.97 -46.27 88.5 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.162 0.892 . . . . 0.0 111.479 -175.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.4 -44.92 72.76 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.543 0.737 . . . . 0.0 110.972 177.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.2 m -72.52 -25.85 61.54 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.388 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.25 -54.5 17.19 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 123.292 0.637 . . . . 0.0 109.834 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.82 -48.39 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.682 0.793 . . . . 0.0 110.758 172.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -59.23 -42.0 90.02 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.344 0.658 . . . . 0.0 111.816 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.479 ' HB2' ' HE3' ' B' ' 26' ' ' MET . . . -59.67 -53.14 61.43 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.416 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 90.6 mt -56.59 -28.46 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 C-N-CA 123.449 0.7 . . . . 0.0 111.675 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 10.4 mm-40 -64.79 -32.34 73.98 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 118.928 -0.558 . . . . 0.0 110.763 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 7.6 m -53.73 -40.46 66.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 123.698 0.624 . . . . 0.0 111.276 169.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.486 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 2.9 mm -70.95 -46.5 67.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -175.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.5 mmmm -60.45 -21.66 62.57 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.302 1.041 . . . . 0.0 113.327 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 39.4 mmt-85 -60.84 -71.78 0.13 Allowed 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.195 0.934 . . . . 0.0 111.408 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -162.67 22.59 0.1 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.316 0.646 . . . . 0.0 109.635 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.486 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 27.1 t -61.87 -27.94 69.15 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -173.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -61.57 -32.17 72.25 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 122.514 0.326 . . . . 0.0 111.479 170.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 2.63 58.25 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.626 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 49' ' ' SER . . . -63.45 178.37 0.56 Allowed 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.774 0.787 . . . . 0.0 111.876 174.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -107.17 157.33 17.95 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.929 0.492 . . . . 0.0 109.724 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 m -119.66 110.63 17.07 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.391 0.676 . . . . 0.0 109.903 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -110.09 130.84 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.002 1.321 . . . . 0.0 110.1 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 11.7 t70 -107.82 112.74 25.53 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 122.805 0.442 . . . . 0.0 110.449 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.29 -22.19 28.68 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.025 1.33 . . . . 0.0 112.47 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.593 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 11.6 t -92.54 8.84 37.08 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.015 0.436 . . . . 0.0 112.171 -171.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.475 0.776 0 C-N-CA 122.968 0.507 . . . . 0.0 110.056 169.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.438 ' O ' ' HA ' ' B' ' 21' ' ' SER . 42.1 ttm . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.33 171.32 7.93 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.422 1.089 . . . . 0.0 110.112 -179.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.68 176.1 7.44 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.339 0.656 . . . . 0.0 111.232 -178.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -99.59 117.39 33.86 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.3 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -95.93 107.9 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.427 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 29.9 mt -99.49 123.04 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -176.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.593 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 44.6 p90 -138.79 -179.2 5.68 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 122.859 0.464 . . . . 0.0 109.978 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.453 HE21 ' HA2' ' B' ' 12' ' ' GLY . 13.9 pt20 -126.7 152.19 47.12 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 167.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -100.36 -179.36 4.09 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.724 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -36.52 14.14 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 125.443 1.497 . . . . 0.0 113.462 -175.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.633 ' HB1' ' HG3' ' B' ' 13' ' ' GLU . . . -89.15 17.45 5.92 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.849 -177.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . 0.453 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 69.66 22.46 76.73 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.654 -173.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.633 ' HG3' ' HB1' ' B' ' 11' ' ' ALA . 42.2 mt-10 -78.78 93.12 4.91 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.422 0.289 . . . . 0.0 110.663 -167.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -54.63 105.09 0.13 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 122.489 1.138 . . . . 0.0 112.024 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -132.85 134.13 44.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 112.142 -2.299 . . . . 0.0 108.226 -176.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -113.96 168.82 9.48 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-O 121.657 0.742 . . . . 0.0 110.048 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -141.37 169.77 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.098 -1.41 . . . . 0.0 110.093 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.453 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 24.0 t80 -126.9 140.76 52.1 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 173.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -95.53 -179.42 4.75 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.284 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.78 159.78 36.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.899 0.88 . . . . 0.0 108.678 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' B' ' 1' ' ' MET . 19.1 m -55.47 -24.66 32.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -81.91 -11.52 58.86 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.037 0.535 . . . . 0.0 111.747 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.51 65.31 1.68 Allowed Glycine 0 C--N 1.342 0.869 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.943 -174.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -146.46 155.58 42.65 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 172.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.9 m -90.75 136.77 32.85 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.367 0.603 . . . . 0.0 109.757 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.479 ' HE3' ' HB2' ' A' ' 41' ' ' ALA . 1.8 ppp? -116.24 -26.24 7.27 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.061 -174.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . 0.427 ' HD2' ' HE1' ' B' ' 26' ' ' MET . 1.8 p90 -147.18 160.9 41.9 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 167.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.421 ' H ' ' HB3' ' A' ' 30' ' ' GLU . 88.5 p -165.85 -177.96 4.53 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.918 1.386 . . . . 0.0 110.127 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 91.5 p 62.21 35.06 15.69 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.176 0.991 . . . . 0.0 113.125 153.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.4 ' HB3' ' H ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -58.9 -41.65 87.74 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.935 166.147 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.33 53.38 39.83 Favored Glycine 0 C--N 1.359 1.861 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -73.21 -56.66 4.79 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 122.147 0.179 . . . . 0.0 111.33 -162.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -168.85 -75.31 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.653 0.381 . . . . 0.0 110.918 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.07 -177.76 6.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.047 0.939 . . . . 0.0 108.968 -175.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -45.11 93.5 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.209 0.913 . . . . 0.0 111.416 -175.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.55 81.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.208 0.603 . . . . 0.0 110.638 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 51.0 m -71.62 -26.2 62.47 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.439 0.695 . . . . 0.0 111.518 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.25 -54.75 15.47 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.144 0.578 . . . . 0.0 109.773 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.465 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.2 mp -53.07 -48.67 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.766 0.826 . . . . 0.0 110.745 172.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -60.2 -41.08 92.24 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.416 0.686 . . . . 0.0 112.127 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.485 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -59.83 -53.42 58.19 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 89.6 mt -56.04 -28.39 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 123.416 0.686 . . . . 0.0 111.743 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 50.1 mt-10 -65.62 -31.79 73.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 119.456 -0.307 . . . . 0.0 110.502 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 32.0 m -54.06 -40.1 66.84 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 120.947 0.403 . . . . 0.0 111.06 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.488 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 2.6 mm -71.1 -46.46 66.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.736 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.0 mmmm -61.56 -20.89 63.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.081 0.952 . . . . 0.0 112.885 -176.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 15.8 mmm180 -60.38 -72.17 0.12 Allowed 'General case' 0 CA--C 1.549 0.941 0 O-C-N 124.142 0.901 . . . . 0.0 111.393 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -162.85 22.94 0.09 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.628 0.771 . . . . 0.0 109.413 -174.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.1 t -61.5 -28.16 69.11 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -174.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -61.18 -32.52 72.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.668 0.387 . . . . 0.0 111.431 170.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.87 2.65 58.44 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 113.723 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.418 ' HB3' ' HA ' ' B' ' 49' ' ' SER . . . -63.34 178.01 0.59 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.629 0.771 . . . . 0.0 111.988 174.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.449 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 37.2 t70 -106.77 157.14 17.96 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.751 0.42 . . . . 0.0 110.013 177.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -119.09 110.59 17.25 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.236 0.614 . . . . 0.0 109.89 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -110.09 131.04 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 124.809 1.244 . . . . 0.0 110.29 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.41 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 18.6 t70 -107.4 112.18 24.86 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.223 0.609 . . . . 0.0 110.517 176.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 48.2 mt -85.19 -24.4 27.91 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.744 1.218 . . . . 0.0 113.134 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.553 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 7.3 t -83.5 7.87 15.73 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 118.393 0.542 . . . . 0.0 112.212 -169.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.559 1.291 0 C-N-CA 123.243 0.617 . . . . 0.0 111.314 174.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -67.4 151.57 47.19 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 123.117 0.567 . . . . 0.0 110.655 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.92 176.43 10.18 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.35 -161.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.423 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 74.4 m-85 -103.1 113.68 27.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.678 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -95.45 109.29 21.5 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -98.86 117.55 44.1 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.529 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.6 p90 -135.93 179.35 6.4 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.56 0.695 . . . . 0.0 109.489 178.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -123.44 147.17 47.41 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 165.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.61 161.72 23.38 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 124.505 1.122 . . . . 0.0 108.175 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -34.8 39.12 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 124.496 1.122 . . . . 0.0 111.733 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.46 5.74 0.54 Allowed 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.515 1.126 . . . . 0.0 113.34 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.54 28.56 73.12 Favored Glycine 0 C--N 1.351 1.373 0 C-N-CA 124.312 0.958 . . . . 0.0 112.592 -176.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -110.03 109.27 19.78 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.025 0.53 . . . . 0.0 110.793 -171.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.435 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 89.9 m-85 -59.17 119.52 7.49 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.81 136.41 38.8 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.023 1.329 . . . . 0.0 107.779 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -122.1 173.41 7.58 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-O 121.022 0.439 . . . . 0.0 109.834 168.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -144.34 169.61 17.59 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.24 -1.345 . . . . 0.0 110.499 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.437 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 18.0 t80 -122.14 134.36 54.74 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 168.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -100.24 -179.27 4.08 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.868 -172.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.564 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -126.64 177.95 6.21 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 171.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 p -71.99 -26.98 62.46 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 118.451 0.568 . . . . 0.0 111.008 -160.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -102.54 7.59 40.08 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.614 0.366 . . . . 0.0 111.643 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.27 17.97 20.72 Favored Glycine 0 C--N 1.349 1.299 0 N-CA-C 114.894 0.718 . . . . 0.0 114.894 175.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 15.5 mp0 -78.64 156.0 29.27 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 m -121.42 135.33 55.07 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 171.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.482 ' HE3' ' HB1' ' B' ' 41' ' ' ALA . 1.5 ppp? -113.25 -18.23 12.14 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.472 -0.785 . . . . 0.0 112.0 -175.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.634 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 0.1 OUTLIER -164.46 167.37 19.59 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 162.374 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 p -174.3 -175.81 1.03 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.979 1.424 . . . . 0.0 111.679 -168.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.7 m 89.43 5.53 0.14 Allowed 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 156.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.654 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 8.2 tp10 -97.0 -84.36 0.37 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 92.13 -12.36 69.79 Favored Glycine 0 C--N 1.354 1.544 0 CA-C-O 120.055 -0.303 . . . . 0.0 112.704 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.654 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 15.2 t80 75.65 -65.98 0.3 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.394 1.877 . . . . 0.0 111.32 175.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -154.21 -61.35 0.13 Allowed 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.255 0.55 . . . . 0.0 109.89 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -139.43 -174.78 3.97 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.934 1.294 . . . . 0.0 108.753 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -68.09 -50.09 57.14 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 118.71 0.686 . . . . 0.0 110.142 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.04 -46.7 71.98 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.075 0.55 . . . . 0.0 110.797 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 4.9 m -65.89 -28.8 69.22 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.379 177.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.41 -46.78 72.22 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.398 0.679 . . . . 0.0 110.693 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.424 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.4 mp -55.54 -48.56 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-O 119.354 -0.355 . . . . 0.0 110.839 172.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -57.67 -39.48 77.19 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.165 0.586 . . . . 0.0 111.132 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB1' ' HE1' ' B' ' 26' ' ' MET . . . -58.43 -53.72 55.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.939 172.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.453 ' O ' ' HD2' ' A' ' 46' ' ' LYS . 58.4 mt -59.43 -26.95 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.234 0.614 . . . . 0.0 111.99 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 44.8 mt-10 -67.0 -31.79 72.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 119.415 -0.326 . . . . 0.0 110.128 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 60.1 m -55.78 -37.59 68.76 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 123.669 0.606 . . . . 0.0 111.52 171.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.516 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.7 mm -69.67 -43.36 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.557 -175.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HD2' ' O ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -59.1 -24.97 63.41 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.211 1.004 . . . . 0.0 112.95 179.028 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -64.99 -52.88 53.74 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.168 0.587 . . . . 0.0 111.998 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -176.89 16.65 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 123.632 0.582 . . . . 0.0 111.896 -170.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.516 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.9 t -65.8 -31.82 73.0 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.279 -0.888 . . . . 0.0 112.48 -173.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.21 71.31 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.175 0.297 . . . . 0.0 111.687 170.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.26 3.43 64.03 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-O 119.427 -0.652 . . . . 0.0 114.127 176.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.69 164.73 13.88 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.374 0.669 . . . . 0.0 111.608 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -89.37 156.52 18.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.0 m -110.31 98.13 7.43 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 174.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.1 t -97.19 127.35 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.876 0.87 . . . . 0.0 109.596 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -108.8 111.44 23.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.056 0.542 . . . . 0.0 110.438 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -93.47 -15.84 25.14 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.849 1.26 . . . . 0.0 112.044 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.559 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 6.7 t -86.73 8.18 23.66 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.147 0.498 . . . . 0.0 112.269 -175.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.549 0.933 0 C-N-CA 122.735 0.414 . . . . 0.0 110.073 166.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttp . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.069 0.461 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -69.11 160.32 31.27 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.118 170.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.1 176.08 7.96 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.04 -166.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.423 ' HZ ' HG22 ' B' ' 45' ' ' ILE . 76.5 m-85 -103.15 113.5 27.03 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.267 1.027 . . . . 0.0 109.556 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -95.69 109.04 21.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.088 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.7 mt -98.23 118.05 44.11 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 -175.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.559 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 43.1 p90 -136.23 179.64 6.23 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.429 0.633 . . . . 0.0 109.296 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -123.93 147.4 47.74 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 165.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -81.55 161.24 23.64 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -50.99 -35.43 33.79 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.878 1.271 . . . . 0.0 111.295 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.89 6.34 0.52 Allowed 'General case' 0 CA--C 1.567 1.625 0 C-N-CA 124.159 0.984 . . . . 0.0 113.157 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.68 28.29 73.24 Favored Glycine 0 C--N 1.349 1.294 0 C-N-CA 124.597 1.094 . . . . 0.0 112.911 -176.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -109.83 118.7 37.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.664 0.386 . . . . 0.0 110.326 -170.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.433 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 85.7 m-85 -73.77 121.11 20.31 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -172.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' B' ' 14' ' ' TYR . 29.1 mmt180 -136.25 135.84 39.36 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -122.11 173.66 7.42 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 168.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -145.0 170.48 16.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 114.403 -1.272 . . . . 0.0 111.183 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.44 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.5 t80 -122.54 133.95 54.56 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 170.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -99.87 -178.64 3.92 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.983 -171.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' B' ' 24' ' ' GLU . . . -127.9 165.21 20.64 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.982 1.313 . . . . 0.0 107.828 172.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -51.31 -33.43 29.0 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -172.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -101.61 6.49 42.1 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 118.104 0.411 . . . . 0.0 111.991 -176.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.19 17.99 18.54 Favored Glycine 0 C--N 1.349 1.29 0 N-CA-C 114.802 0.681 . . . . 0.0 114.802 176.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.575 ' HB2' ' HB1' ' B' ' 20' ' ' ALA . 9.0 mp0 -79.05 155.84 28.63 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 117.252 0.526 . . . . 0.0 109.747 176.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 89.0 m -120.85 135.92 55.05 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.497 ' HE1' ' HB1' ' A' ' 41' ' ' ALA . 1.5 ppp? -114.0 -18.45 11.72 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.847 -175.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.79 167.11 21.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 161.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -173.59 -176.61 1.3 Allowed 'General case' 0 CA--C 1.541 0.62 0 O-C-N 125.257 1.598 . . . . 0.0 110.674 -168.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m 90.6 7.85 0.08 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 155.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.634 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -98.67 -85.44 0.38 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.085 0.554 . . . . 0.0 109.925 176.603 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 91.57 -10.74 73.99 Favored Glycine 0 C--N 1.346 1.108 0 C-N-CA 123.715 0.674 . . . . 0.0 112.515 -176.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 20.5 t80 74.24 -66.81 0.28 Allowed 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.166 1.786 . . . . 0.0 111.473 176.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -153.12 -61.21 0.14 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.106 0.479 . . . . 0.0 110.439 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.438 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -139.03 -174.73 3.93 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.773 1.229 . . . . 0.0 108.513 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -68.14 -50.18 56.26 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 118.664 0.666 . . . . 0.0 110.299 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.95 -46.92 71.73 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.234 0.614 . . . . 0.0 110.581 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.438 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 10.3 m -65.68 -28.8 69.34 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.274 178.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.41 72.03 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.405 0.682 . . . . 0.0 110.511 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.37 -48.4 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-O 119.298 -0.382 . . . . 0.0 110.803 172.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -57.16 -39.6 75.56 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.046 0.538 . . . . 0.0 111.131 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.482 ' HB1' ' HE3' ' A' ' 26' ' ' MET . . . -58.49 -53.22 60.74 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.936 173.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.481 ' O ' ' HD2' ' B' ' 46' ' ' LYS . 61.5 mt -59.94 -26.78 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.139 0.576 . . . . 0.0 111.789 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 48.7 mt-10 -67.19 -31.57 72.06 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.434 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 39.6 m -56.28 -36.99 69.25 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.562 0.539 . . . . 0.0 111.353 171.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.509 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.2 mm -69.96 -43.63 79.23 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.519 -175.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.481 ' HD2' ' O ' ' B' ' 42' ' ' ILE . 0.5 OUTLIER -58.29 -26.28 62.81 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.451 1.1 . . . . 0.0 112.849 178.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 99.2 mtt180 -63.47 -54.09 41.9 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.406 0.682 . . . . 0.0 112.529 -174.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -176.08 17.23 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 123.622 0.576 . . . . 0.0 111.621 -171.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.509 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.3 t -65.72 -31.71 72.85 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.462 -0.774 . . . . 0.0 112.383 -173.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.31 -33.55 71.24 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.57 0.348 . . . . 0.0 111.72 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.07 3.39 64.45 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.413 -0.66 . . . . 0.0 114.101 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.59 164.66 13.78 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 117.58 0.69 . . . . 0.0 111.502 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -88.84 156.86 18.69 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 41.5 m -110.7 98.06 7.32 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 44.8 t -96.46 127.57 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.024 0.93 . . . . 0.0 109.441 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -109.41 111.2 22.6 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.142 0.496 . . . . 0.0 110.293 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -93.25 -14.25 27.27 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.851 1.261 . . . . 0.0 112.157 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.529 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 5.8 t -88.81 5.9 41.45 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 118.771 0.714 . . . . 0.0 111.398 -175.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 166.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.97 149.34 49.95 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.501 0.667 . . . . 0.0 110.919 173.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.45 173.76 11.75 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.637 -170.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -99.28 110.12 22.68 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.13 0.972 . . . . 0.0 109.125 -176.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -93.81 109.8 21.48 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.5 mt -97.36 113.21 31.18 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.639 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 40.9 p90 -131.65 178.78 6.49 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.414 HE21 ' HA2' ' A' ' 12' ' ' GLY . 8.8 pt20 -119.7 142.93 48.05 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 162.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.483 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 33.1 t70 -80.13 162.07 24.94 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.442 1.097 . . . . 0.0 109.173 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -35.17 25.33 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.621 1.568 . . . . 0.0 112.763 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.33 5.57 2.82 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.377 1.071 . . . . 0.0 112.601 174.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.414 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 69.53 36.72 77.36 Favored Glycine 0 C--N 1.344 0.989 0 C-N-CA 124.134 0.873 . . . . 0.0 113.095 -176.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -109.49 123.75 49.91 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.502 0.321 . . . . 0.0 111.155 -173.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -83.12 110.21 17.83 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.483 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 95.5 mtt180 -133.43 135.73 44.77 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.652 1.181 . . . . 0.0 110.171 -169.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -112.64 144.64 41.79 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 170.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -120.53 166.38 13.69 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.744 0.818 . . . . 0.0 108.857 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.572 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 21.4 t80 -124.9 136.75 54.07 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 175.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -97.63 -177.82 3.92 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.384 -172.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -122.48 -151.24 0.47 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.583 1.153 . . . . 0.0 108.402 175.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -93.12 -27.36 16.98 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.762 0.71 . . . . 0.0 110.613 -167.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -103.72 15.26 29.23 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.057 0.943 . . . . 0.0 111.507 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.72 21.08 72.69 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 116.514 -0.312 . . . . 0.0 113.26 -173.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.554 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 53.3 mm-40 -75.94 149.64 37.65 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -110.22 136.32 49.61 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 118.632 0.651 . . . . 0.0 109.843 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.572 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.9 ppp? -113.5 -28.34 7.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.994 0.918 . . . . 0.0 112.023 -173.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.483 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 3.2 p90 -147.41 165.06 31.37 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.733 0.778 . . . . 0.0 110.759 165.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.6 t -142.0 145.56 34.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 112.837 -1.983 . . . . 0.0 105.881 168.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 t -78.26 157.28 29.31 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.8 -22.08 62.4 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.015 0.526 . . . . 0.0 110.537 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.54 42.07 0.76 Allowed Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.425 -0.807 . . . . 0.0 114.246 172.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.6 t80 4.75 -67.36 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 128.037 2.535 . . . . 0.0 116.784 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -166.23 -69.97 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.555 0.342 . . . . 0.0 111.428 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.07 177.29 10.65 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.176 0.591 . . . . 0.0 110.632 -168.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.475 ' HE2' HD11 ' A' ' 39' ' ' ILE . 20.7 tptm -65.48 -49.49 68.85 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.781 0.832 . . . . 0.0 111.446 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.78 76.32 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.075 0.464 . . . . 0.0 111.298 174.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.2 m -66.51 -25.5 66.71 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.35 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.78 -51.67 46.2 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 123.579 0.549 . . . . 0.0 110.401 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.475 HD11 ' HE2' ' A' ' 35' ' ' LYS . 2.3 mp -56.14 -50.27 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 122.889 0.476 . . . . 0.0 111.231 176.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -58.0 -39.09 77.4 Favored 'General case' 0 C--O 1.254 1.324 0 O-C-N 123.595 0.559 . . . . 0.0 111.118 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.49 ' HB3' ' HE2' ' B' ' 26' ' ' MET . . . -59.97 -56.31 23.24 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.049 171.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.46 HD11 HG21 ' B' ' 54' ' ' THR . 74.4 mt -57.51 -26.54 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.416 0.686 . . . . 0.0 111.859 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 45.5 mt-10 -67.1 -33.65 75.94 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 119.338 -0.363 . . . . 0.0 110.192 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.45 ' HB2' ' HE1' ' B' ' 26' ' ' MET . 22.2 m -54.55 -39.8 68.07 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 123.773 0.67 . . . . 0.0 111.862 169.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.504 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.1 mm -68.81 -41.63 82.35 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.481 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 9.5 mmmm -62.79 -26.34 68.67 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.814 0.845 . . . . 0.0 112.787 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 26.2 mmm180 -62.72 -56.09 20.79 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.482 -174.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -175.08 20.35 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 122.865 0.466 . . . . 0.0 111.331 -172.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.504 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 25.3 t -62.51 -32.7 73.66 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -175.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -64.7 -19.25 65.64 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 173.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.87 -4.0 42.32 Favored Glycine 0 N--CA 1.477 1.393 0 CA-C-O 119.756 -0.469 . . . . 0.0 113.787 171.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.27 137.27 48.44 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.902 0.881 . . . . 0.0 111.515 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.17 158.05 29.72 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.163 0.585 . . . . 0.0 111.172 -177.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.406 HG23 HD13 ' B' ' 42' ' ' ILE . 55.6 m -111.49 97.66 6.9 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 121.475 0.655 . . . . 0.0 109.566 177.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.4 t -94.67 131.05 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.924 1.29 . . . . 0.0 110.593 -176.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -107.0 128.76 54.64 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.664 0.786 . . . . 0.0 111.423 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -100.93 -34.04 9.95 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.999 0.919 . . . . 0.0 112.229 170.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.616 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.6 t -78.05 -21.93 49.89 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -159.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.433 HG23 HG21 ' A' ' 58' ' ' THR . 72.8 p . . . . . 0 N--CA 1.488 1.47 0 CA-C-N 118.239 0.472 . . . . 0.0 110.955 -176.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.09 157.25 22.66 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.617 0.767 . . . . 0.0 111.702 170.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.53 173.76 10.62 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.02 -171.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.495 ' HZ ' HG23 ' B' ' 45' ' ' ILE . 94.6 m-85 -98.92 110.05 22.72 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.389 1.076 . . . . 0.0 109.493 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -93.6 110.07 21.68 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 25.5 mt -97.61 113.61 32.58 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.616 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 30.4 p90 -132.37 178.7 6.62 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -119.38 142.84 47.82 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 162.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -79.96 162.1 25.12 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.422 1.089 . . . . 0.0 109.037 -177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -50.71 -35.8 33.0 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.485 1.514 . . . . 0.0 112.194 178.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.32 5.79 2.07 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 124.042 0.937 . . . . 0.0 112.57 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.8 36.49 74.66 Favored Glycine 0 C--N 1.346 1.114 0 C-N-CA 124.288 0.947 . . . . 0.0 112.841 -177.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -110.11 124.0 50.74 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.367 0.267 . . . . 0.0 110.664 -172.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -83.18 111.42 18.91 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -172.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -133.97 134.75 42.9 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.872 1.269 . . . . 0.0 109.946 -169.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -111.78 144.64 40.75 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 169.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -120.32 166.33 13.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.081 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.562 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 20.1 t80 -124.78 136.6 53.99 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 175.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -97.62 -177.82 3.92 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.369 -172.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.508 ' HB1' ' HB2' ' B' ' 24' ' ' GLU . . . -122.24 -151.61 0.48 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.668 1.187 . . . . 0.0 108.374 175.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 17.6 p -92.79 -27.44 17.19 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.455 0.57 . . . . 0.0 110.855 -168.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -103.26 15.18 29.88 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.085 0.954 . . . . 0.0 111.366 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.19 22.03 71.97 Favored Glycine 0 C--N 1.345 1.069 0 CA-C-O 120.151 -0.249 . . . . 0.0 113.134 -173.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.508 ' HB2' ' HB1' ' B' ' 20' ' ' ALA . 8.7 mm-40 -76.5 149.82 36.7 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 173.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 38.6 m -110.18 136.35 49.53 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.738 0.699 . . . . 0.0 109.635 174.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.562 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 2.0 ppp? -113.96 -27.55 7.69 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.045 0.938 . . . . 0.0 112.067 -173.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . 0.485 ' HD1' ' HE3' ' B' ' 26' ' ' MET . 4.5 p90 -148.16 165.11 31.88 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 121.636 0.731 . . . . 0.0 110.728 164.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.0 t -141.47 146.18 36.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 168.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 37.3 t -78.43 157.88 28.85 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -71.2 -22.59 62.0 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 122.947 0.499 . . . . 0.0 110.113 171.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.13 42.09 0.79 Allowed Glycine 0 C--N 1.349 1.274 0 CA-C-N 115.349 -0.842 . . . . 0.0 114.29 172.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' B' ' 38' ' ' ALA . 3.0 p90 7.14 -67.45 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 128.035 2.534 . . . . 0.0 116.807 171.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -168.04 -70.37 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.036 0.534 . . . . 0.0 111.302 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.07 177.32 10.93 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 122.919 0.488 . . . . 0.0 110.816 -168.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -65.75 -49.21 69.22 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.8 0.84 . . . . 0.0 111.29 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.11 -43.14 77.84 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.911 0.484 . . . . 0.0 111.262 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 18.5 m -66.85 -24.79 66.18 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.29 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.401 ' HB3' ' CE2' ' B' ' 32' ' ' TYR . . . -67.08 -53.09 34.21 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.277 0.631 . . . . 0.0 110.654 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.92 -49.28 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 123.669 0.606 . . . . 0.0 111.074 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -57.93 -39.29 77.65 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 123.781 0.676 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.522 ' HB2' ' HE3' ' A' ' 26' ' ' MET . . . -60.24 -56.16 24.96 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.939 172.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.406 HD13 HG23 ' A' ' 54' ' ' THR . 64.7 mt -57.8 -26.67 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.295 0.638 . . . . 0.0 111.595 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.484 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 41.3 mt-10 -66.4 -34.14 77.29 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.6 0.36 . . . . 0.0 110.1 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 21.7 m -54.32 -40.05 67.61 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.831 0.707 . . . . 0.0 111.623 169.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.515 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.0 mm -68.77 -41.52 82.44 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -175.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.484 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.2 mmmm -63.34 -25.6 68.37 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.692 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 25.3 mmt180 -62.69 -56.6 16.2 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 124.093 0.871 . . . . 0.0 112.411 -174.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -174.51 20.43 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 123.441 0.463 . . . . 0.0 111.436 -172.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.515 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.1 t -62.18 -33.11 73.91 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.276 0.63 . . . . 0.0 112.556 -175.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.29 -19.22 65.26 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 173.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.75 -3.55 39.89 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 123.194 0.426 . . . . 0.0 113.71 172.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.51 137.22 47.97 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.69 0.796 . . . . 0.0 111.721 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.35 158.22 29.76 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.813 0.445 . . . . 0.0 111.533 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.46 HG21 HD11 ' A' ' 42' ' ' ILE . 25.7 m -111.11 97.39 6.77 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.262 0.553 . . . . 0.0 109.673 177.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 92.8 t -94.19 130.44 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.999 1.32 . . . . 0.0 110.733 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.85 128.63 53.88 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.822 0.849 . . . . 0.0 111.499 173.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -101.09 -34.52 9.69 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.939 0.896 . . . . 0.0 112.24 169.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.639 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.4 t -76.45 -15.11 59.99 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -159.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 65.9 p . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.526 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 ttm . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -171.84 162.5 6.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.574 1.15 . . . . 0.0 110.175 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -166.0 -179.54 5.25 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.177 -175.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.459 ' HZ ' HG22 ' A' ' 45' ' ' ILE . 83.0 m-85 -99.85 113.3 25.73 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.382 1.073 . . . . 0.0 109.743 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.65 112.49 24.23 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.498 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 26.0 mt -99.39 114.33 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -174.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.602 ' HE1' ' HG3' ' A' ' 17' ' ' ARG . 27.2 p90 -134.22 168.62 18.53 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.419 ' HG2' HG23 ' B' ' 61' ' ' THR . 0.9 OUTLIER -111.34 142.45 43.56 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 169.764 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.47 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 36.0 t70 -77.93 163.61 25.85 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 123.667 0.787 . . . . 0.0 109.581 177.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -48.04 -33.17 7.62 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.132 1.373 . . . . 0.0 112.493 176.179 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -73.38 7.53 2.23 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 124.771 1.228 . . . . 0.0 112.468 176.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.46 22.67 77.8 Favored Glycine 0 C--N 1.346 1.107 0 C-N-CA 123.565 0.603 . . . . 0.0 112.671 -173.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 34.6 mt-10 -94.21 94.86 8.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.65 0.38 . . . . 0.0 111.518 -170.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.47 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 95.7 m-85 -53.76 131.32 39.24 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.49 171.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' NH1' ' HG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -158.19 170.44 22.27 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 125.153 1.533 . . . . 0.0 109.727 -172.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -145.76 138.82 26.02 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.627 ' HD2' HG23 ' A' ' 25' ' ' THR . 23.0 mtm180 -107.29 165.01 11.7 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.66 0.784 . . . . 0.0 109.029 173.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.559 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 21.6 t80 -127.16 142.24 51.55 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 173.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -98.91 -177.5 3.66 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.293 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . . . -134.42 161.08 36.01 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.805 1.242 . . . . 0.0 108.322 175.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 p -54.61 -28.43 46.57 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.345 1.058 . . . . 0.0 113.367 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -86.06 16.75 4.0 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.437 0.695 . . . . 0.0 111.174 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.48 49.98 68.83 Favored Glycine 0 C--N 1.354 1.547 0 C-N-CA 123.585 0.612 . . . . 0.0 113.604 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 6.9 pt-20 -140.09 138.92 35.71 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.151 0.58 . . . . 0.0 109.897 -175.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.627 HG23 ' HD2' ' A' ' 17' ' ' ARG . 54.4 m -78.42 141.97 37.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.293 0.637 . . . . 0.0 109.957 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.559 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.3 ppp? -120.29 -21.46 6.92 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.031 0.932 . . . . 0.0 111.665 -176.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.548 ' HE2' ' HB2' ' A' ' 29' ' ' SER . 3.3 p90 -152.22 161.89 41.95 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.497 0.665 . . . . 0.0 111.165 167.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.42 ' HG ' ' NH1' ' A' ' 15' ' ' ARG . 25.4 t -130.93 141.91 50.32 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 113.263 -1.789 . . . . 0.0 107.12 166.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.548 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 43.0 t -102.61 175.11 5.61 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.344 0.592 . . . . 0.0 110.405 -173.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.474 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 10.2 pt-20 -79.75 -16.1 56.24 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.471 169.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 74.57 -2.05 49.16 Favored Glycine 0 C--N 1.363 2.041 0 N-CA-C 115.597 0.999 . . . . 0.0 115.597 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.474 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 3.0 t80 82.79 -53.55 0.19 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.995 1.718 . . . . 0.0 111.624 169.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -165.88 -57.45 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.332 0.653 . . . . 0.0 111.128 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -146.1 -171.78 3.79 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.817 0.847 . . . . 0.0 109.314 -169.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.511 ' NZ ' HG22 ' B' ' 58' ' ' THR . 22.6 ttmm -65.27 -49.68 68.66 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.23 0.468 . . . . 0.0 110.763 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.48 -39.4 73.18 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.285 0.634 . . . . 0.0 111.193 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.472 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.6 m -72.5 -30.32 64.4 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.997 177.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.09 -54.72 18.74 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.799 0.84 . . . . 0.0 110.511 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.416 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 2.1 mp -57.39 -47.97 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 123.385 0.674 . . . . 0.0 110.712 175.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -57.21 -38.6 73.97 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.217 0.607 . . . . 0.0 111.531 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB2' ' HE2' ' B' ' 26' ' ' MET . . . -61.47 -53.36 57.43 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.406 ' HA ' HG12 ' A' ' 45' ' ' ILE . 72.7 mt -58.57 -27.59 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 122.814 0.446 . . . . 0.0 111.529 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB3' ' NH2' ' A' ' 47' ' ' ARG . 56.7 mm-40 -62.63 -39.54 94.15 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.989 0.515 . . . . 0.0 110.117 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.43 ' HB2' ' HE1' ' B' ' 26' ' ' MET . 16.3 m -54.39 -38.72 66.49 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 123.849 0.718 . . . . 0.0 112.112 172.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.497 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.1 mm -69.31 -40.58 80.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -175.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.5 mmmm -62.74 -21.79 66.06 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -177.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' NH2' ' HB3' ' A' ' 43' ' ' GLU . 38.0 mmt-85 -72.32 -60.28 2.31 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.846 -172.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -163.64 17.25 0.07 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 122.75 0.42 . . . . 0.0 110.981 -170.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.497 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 22.8 t -64.47 -32.15 73.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.694 -0.629 . . . . 0.0 112.423 -175.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.39 -23.05 67.24 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.965 172.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.32 -7.97 36.53 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-O 119.489 -0.617 . . . . 0.0 113.811 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.52 151.68 36.83 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.796 0.838 . . . . 0.0 111.545 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -76.37 159.33 30.6 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.161 0.505 . . . . 0.0 110.444 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -119.63 99.36 6.61 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.105 0.562 . . . . 0.0 109.647 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.16 126.08 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.56 1.144 . . . . 0.0 109.373 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.456 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.4 t70 -99.18 111.14 23.59 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.065 0.546 . . . . 0.0 110.393 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.78 -30.77 45.76 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.866 0.867 . . . . 0.0 112.441 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.668 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 12.3 t -81.76 12.6 3.8 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -166.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.584 HG22 ' HZ1' ' B' ' 35' ' ' LYS . 3.2 p -76.74 70.54 3.23 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 168.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 65.9 mtt -125.62 128.81 48.46 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.094 0.957 . . . . 0.0 110.127 -170.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.9 p -68.83 118.04 11.27 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.325 0.65 . . . . 0.0 110.543 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.273 0 C-N-CA 123.735 0.814 . . . . 0.0 109.54 -176.799 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ttt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -165.64 157.13 14.25 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.87 1.268 . . . . 0.0 109.561 171.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 179.0 8.04 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.271 0.628 . . . . 0.0 111.814 -171.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.485 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 84.6 m-85 -99.52 112.95 25.08 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 124.419 1.088 . . . . 0.0 109.718 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.429 ' HB2' ' HG2' ' B' ' 17' ' ' ARG . 33.4 mt-10 -94.73 112.62 24.35 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 23.1 mt -99.18 114.75 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -174.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.668 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 46.2 p90 -134.3 167.7 20.23 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -111.33 142.38 43.64 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 168.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.55 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 26.7 t70 -77.93 163.89 25.6 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.14 0.976 . . . . 0.0 109.013 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -33.32 10.19 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 125.034 1.334 . . . . 0.0 112.432 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.31 7.91 2.0 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 124.64 1.176 . . . . 0.0 112.669 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.76 23.39 76.84 Favored Glycine 0 C--N 1.35 1.306 0 C-N-CA 123.803 0.716 . . . . 0.0 112.888 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.55 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 39.1 mt-10 -93.45 95.57 9.36 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.677 0.391 . . . . 0.0 111.146 -170.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.476 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 60.5 m-85 -55.4 129.16 37.57 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.124 0.57 . . . . 0.0 110.503 171.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -153.75 170.51 20.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.274 1.829 . . . . 0.0 109.085 -172.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -146.04 139.4 26.04 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.429 ' HG2' ' HB2' ' B' ' 5' ' ' GLU . 8.9 ptp180 -107.63 165.8 11.15 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.55 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 23.0 t80 -127.67 142.01 51.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -99.05 -177.9 3.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.229 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.98 161.41 34.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.613 1.165 . . . . 0.0 108.033 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 88.2 p -54.82 -28.77 51.95 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.316 1.046 . . . . 0.0 113.338 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -86.23 17.59 3.59 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 123.493 0.717 . . . . 0.0 111.518 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.67 48.47 81.16 Favored Glycine 0 C--N 1.352 1.444 0 C-N-CA 123.815 0.721 . . . . 0.0 113.761 175.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -139.18 139.82 37.64 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.264 0.626 . . . . 0.0 110.11 -176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 90.4 m -78.76 142.05 37.33 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.445 0.698 . . . . 0.0 109.936 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.55 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.4 ppp? -120.16 -21.55 6.96 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.549 -176.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.554 ' HE2' ' HB3' ' B' ' 29' ' ' SER . 3.0 p90 -152.22 161.25 42.89 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.606 0.717 . . . . 0.0 111.137 168.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -130.48 141.51 50.51 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 113.39 -1.732 . . . . 0.0 106.926 166.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.554 ' HB3' ' HE2' ' B' ' 27' ' ' PHE . 86.2 p -102.59 176.92 5.01 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.195 0.522 . . . . 0.0 110.265 -174.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -82.39 -13.8 56.26 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.575 169.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 73.93 -1.3 47.88 Favored Glycine 0 C--N 1.356 1.689 0 N-CA-C 115.498 0.959 . . . . 0.0 115.498 -178.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 82.63 -53.72 0.2 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.666 1.587 . . . . 0.0 111.68 169.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -166.45 -57.84 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.447 0.699 . . . . 0.0 110.949 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.465 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -146.52 -171.14 3.68 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.728 0.811 . . . . 0.0 108.978 -169.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.584 ' HZ1' HG22 ' A' ' 59' ' ' THR . 24.6 tttp -66.16 -49.42 67.47 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.254 0.621 . . . . 0.0 110.577 178.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.13 73.35 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.647 0.779 . . . . 0.0 110.973 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.465 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 8.1 m -72.98 -30.56 63.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.859 0.864 . . . . 0.0 111.015 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.91 -54.6 20.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.814 0.846 . . . . 0.0 110.508 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.429 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.2 mp -57.75 -47.55 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.192 0.597 . . . . 0.0 110.942 175.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.6 -39.11 73.01 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 123.454 0.701 . . . . 0.0 111.772 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' HE1' ' A' ' 26' ' ' MET . . . -61.62 -53.66 53.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.314 174.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.403 HG21 ' HD3' ' B' ' 46' ' ' LYS . 73.2 mt -58.08 -28.23 33.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 122.885 0.474 . . . . 0.0 111.352 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.459 ' HB3' HH21 ' B' ' 47' ' ' ARG . 51.9 mt-10 -62.5 -39.23 92.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.851 0.461 . . . . 0.0 109.973 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.411 ' HB2' ' HE3' ' A' ' 26' ' ' MET . 7.8 m -54.69 -38.72 67.34 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.692 0.62 . . . . 0.0 112.115 172.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.485 HG21 ' HZ ' ' B' ' 4' ' ' PHE . 3.3 mm -68.84 -40.54 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -175.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.1 mmmm -63.06 -21.95 66.52 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.119 -0.946 . . . . 0.0 113.395 -176.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.459 HH21 ' HB3' ' B' ' 43' ' ' GLU . 21.7 mmt180 -71.39 -61.21 1.86 Allowed 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.491 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -163.51 17.72 0.07 Allowed 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.867 0.467 . . . . 0.0 111.233 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.473 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 23.0 t -64.22 -32.36 73.91 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.695 -0.628 . . . . 0.0 112.254 -176.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.42 -22.69 67.03 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.81 0.444 . . . . 0.0 111.915 172.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.41 -8.07 36.11 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-O 119.371 -0.683 . . . . 0.0 113.932 173.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.59 151.25 38.42 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.848 0.859 . . . . 0.0 111.566 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -75.36 158.6 32.52 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.221 0.534 . . . . 0.0 110.563 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 41.7 m -119.57 99.57 6.75 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.406 0.683 . . . . 0.0 109.608 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.79 125.69 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.743 1.217 . . . . 0.0 109.505 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.498 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.3 t70 -99.42 110.03 22.56 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.37 0.668 . . . . 0.0 110.259 175.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 mp -77.74 -30.51 51.64 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.349 1.06 . . . . 0.0 111.955 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.591 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.6 t -81.81 7.01 13.81 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 118.166 0.439 . . . . 0.0 112.059 -167.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 p -72.98 -34.25 66.33 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 167.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 81.7 mtp -128.95 78.47 1.85 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 165.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.419 HG23 ' HG2' ' A' ' 8' ' ' GLN . 2.8 m -59.1 145.7 41.31 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.223 1.009 . . . . 0.0 113.062 -166.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.253 1.021 . . . . 0.0 109.567 -173.764 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.75 172.89 16.26 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.171 0.588 . . . . 0.0 112.329 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -157.25 174.98 14.63 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.563 -174.183 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.44 ' HZ ' HG23 ' A' ' 45' ' ' ILE . 76.9 m-85 -100.92 120.69 40.53 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.354 1.062 . . . . 0.0 109.642 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 16' ' ' PHE . 78.2 mt-10 -92.34 107.35 19.15 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.592 0.757 . . . . 0.0 110.005 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 38.1 mt -100.67 113.78 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.524 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 20.8 p90 -138.87 178.29 7.26 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -177.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -115.52 141.56 47.89 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 163.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.579 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 19.4 t70 -78.38 165.72 23.49 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -51.02 -35.33 33.55 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.224 1.01 . . . . 0.0 112.308 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.501 ' HB1' ' HG2' ' A' ' 13' ' ' GLU . . . -73.97 6.58 3.24 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 123.879 0.872 . . . . 0.0 112.637 176.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.04 29.43 60.66 Favored Glycine 0 C--N 1.351 1.363 0 C-N-CA 124.314 0.959 . . . . 0.0 112.444 -175.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 11.4 mm-40 -92.96 89.17 6.43 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.344 0.258 . . . . 0.0 110.991 -171.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.403 ' CD1' ' HB3' ' A' ' 35' ' ' LYS . 64.1 m-85 -59.02 125.13 22.36 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.099 0.476 . . . . 0.0 111.297 173.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' NH1' ' HG ' ' A' ' 28' ' ' SER . 10.8 ptt180 -169.61 165.97 10.08 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 114.204 -1.362 . . . . 0.0 111.693 -172.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 48.4 p90 -128.34 144.2 51.1 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.56 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.655 ' HD2' HG22 ' A' ' 25' ' ' THR . 41.8 mtm180 -108.2 165.03 11.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.392 1.077 . . . . 0.0 108.562 170.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.55 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 20.1 t80 -125.87 138.6 53.81 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 170.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -100.21 -178.38 3.81 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.148 0.979 . . . . 0.0 111.852 -173.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.37 162.47 30.05 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.273 -1.33 . . . . 0.0 108.693 174.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.5 p -53.16 -26.33 16.71 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -85.31 -1.82 57.39 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.137 0.575 . . . . 0.0 111.898 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.35 28.98 46.57 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 123.023 0.344 . . . . 0.0 112.429 -172.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -103.11 124.83 49.31 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.354 0.662 . . . . 0.0 110.576 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.655 HG22 ' HD2' ' A' ' 17' ' ' ARG . 93.6 m -77.77 129.65 35.74 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 173.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.55 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -108.3 -17.98 13.87 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.663 0.785 . . . . 0.0 112.171 -176.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.443 ' HE2' ' HB2' ' A' ' 29' ' ' SER . 5.4 p90 -156.95 163.58 38.97 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.46 0.648 . . . . 0.0 111.912 166.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.417 ' HG ' ' NH1' ' A' ' 15' ' ' ARG . 37.8 t -129.05 141.16 51.32 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.336 -1.756 . . . . 0.0 106.681 169.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.502 ' HG ' ' HB2' ' B' ' 27' ' ' PHE . 36.0 t -101.91 178.9 4.48 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.103 0.561 . . . . 0.0 110.128 -174.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -93.99 -6.96 44.18 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.495 0.718 . . . . 0.0 109.599 169.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.46 3.51 82.86 Favored Glycine 0 C--N 1.357 1.723 0 N-CA-C 114.608 0.603 . . . . 0.0 114.608 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.507 ' HD2' ' HB3' ' A' ' 37' ' ' SER . 76.7 t80 75.74 -63.05 0.42 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.453 1.501 . . . . 0.0 111.101 176.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -152.87 -49.51 0.1 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.283 0.633 . . . . 0.0 111.107 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -151.61 -175.34 5.16 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.658 0.783 . . . . 0.0 109.585 -172.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -70.11 -46.31 65.07 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 119.115 0.871 . . . . 0.0 110.969 -178.681 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.481 ' N ' ' HD3' ' A' ' 35' ' ' LYS . . . -59.2 -40.76 86.76 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.076 0.551 . . . . 0.0 110.467 177.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.507 ' HB3' ' HD2' ' A' ' 32' ' ' TYR . 4.4 m -65.68 -29.87 70.48 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.874 176.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.61 66.65 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.269 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -54.8 -50.85 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 123.157 0.583 . . . . 0.0 110.882 172.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -58.33 -37.02 74.28 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.392 0.677 . . . . 0.0 111.152 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.494 ' HB1' ' HE1' ' B' ' 26' ' ' MET . . . -62.57 -51.24 68.11 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.49 173.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.485 ' O ' ' HD2' ' A' ' 46' ' ' LYS . 73.2 mt -61.06 -25.55 36.48 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 O-C-N 122.053 -0.405 . . . . 0.0 111.653 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 46.7 mt-10 -69.55 -30.64 68.49 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.474 ' HB2' ' HE3' ' B' ' 26' ' ' MET . 37.7 m -57.56 -39.49 76.8 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 123.743 0.652 . . . . 0.0 111.427 169.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.529 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.9 mm -67.91 -41.2 84.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -173.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -57.84 -28.96 64.59 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.611 1.164 . . . . 0.0 113.787 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.5 mmt180 -70.69 -47.94 57.25 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -170.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -174.07 16.49 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 123.332 0.395 . . . . 0.0 111.913 -172.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.529 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.2 t -66.05 -30.56 71.11 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.445 -0.784 . . . . 0.0 112.179 -175.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.24 -37.75 75.5 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 123.424 0.452 . . . . 0.0 111.679 171.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.06 2.27 65.84 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.705 -0.497 . . . . 0.0 113.941 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.08 157.84 24.3 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.512 0.725 . . . . 0.0 112.164 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.488 ' HB3' ' HB3' ' B' ' 3' ' ' LYS . 29.8 t0 -83.45 153.34 24.52 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 m -117.15 100.83 7.98 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.896 0.478 . . . . 0.0 109.833 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.7 t -105.32 130.09 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.673 0.789 . . . . 0.0 110.319 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.683 ' HB2' HG23 ' A' ' 59' ' ' THR . 5.2 m-20 -98.62 108.4 21.08 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.869 0.868 . . . . 0.0 109.377 175.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mp -77.8 -14.58 59.54 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.244 1.018 . . . . 0.0 111.226 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -100.37 21.6 12.87 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 123.498 0.719 . . . . 0.0 110.429 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.683 HG23 ' HB2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -55.27 111.35 0.85 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.636 0.774 . . . . 0.0 110.891 173.443 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.9 tpp -99.78 45.52 0.99 Allowed 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 121.991 0.9 . . . . 0.0 108.772 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.7 p -71.37 113.45 8.43 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.413 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 C-N-CA 124.296 1.038 . . . . 0.0 108.919 179.501 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ttt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.99 174.05 14.34 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.651 0.78 . . . . 0.0 111.553 175.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -158.44 175.26 13.92 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.486 -174.032 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.421 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 71.7 m-85 -101.09 120.62 40.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.421 1.089 . . . . 0.0 109.57 174.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' B' ' 16' ' ' PHE . 42.7 mt-10 -92.75 107.43 19.21 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.785 0.834 . . . . 0.0 109.81 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.452 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 56.6 mt -100.72 113.86 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.471 ' HE1' ' HG3' ' B' ' 17' ' ' ARG . 5.9 p90 -139.2 178.11 7.42 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -177.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -115.33 141.45 48.02 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 163.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.634 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 24.9 t70 -78.17 165.23 24.19 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -49.62 -35.27 20.49 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.552 1.141 . . . . 0.0 112.939 178.299 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.517 ' HB1' ' HG2' ' B' ' 13' ' ' GLU . . . -75.24 6.92 3.84 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.094 0.958 . . . . 0.0 112.331 177.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.54 29.56 61.49 Favored Glycine 0 C--N 1.345 1.07 0 C-N-CA 124.441 1.02 . . . . 0.0 112.476 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.634 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 16.2 mm-40 -92.7 89.8 6.81 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.316 0.246 . . . . 0.0 110.742 -172.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' B' ' 35' ' ' LYS . 51.4 m-85 -59.67 125.45 23.69 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.212 0.529 . . . . 0.0 111.4 173.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -169.09 165.77 11.1 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.357 -171.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' B' ' 5' ' ' GLU . 48.5 p90 -128.45 143.92 51.06 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.612 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.492 ' HD2' HG23 ' B' ' 25' ' ' THR . 22.7 mtm180 -107.52 165.43 11.42 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.273 1.029 . . . . 0.0 108.473 170.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.525 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 19.6 t80 -126.03 138.4 53.72 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 169.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -100.22 -178.26 3.77 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.041 0.936 . . . . 0.0 111.728 -173.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.31 162.45 30.03 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.183 -1.372 . . . . 0.0 108.889 174.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.1 p -53.89 -25.37 19.75 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -84.9 -1.91 57.18 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.329 0.651 . . . . 0.0 112.32 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.11 28.9 47.98 Favored Glycine 0 C--N 1.341 0.823 0 O-C-N 123.45 0.469 . . . . 0.0 112.297 -172.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -102.29 124.67 48.29 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.448 0.699 . . . . 0.0 110.568 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.492 HG23 ' HD2' ' B' ' 17' ' ' ARG . 98.7 m -77.88 129.61 35.59 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 173.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.525 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.5 ppp? -108.61 -17.53 13.94 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.487 -0.778 . . . . 0.0 112.088 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.502 ' HB2' ' HG ' ' A' ' 29' ' ' SER . 6.1 p90 -156.88 163.98 38.56 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.562 0.696 . . . . 0.0 111.785 166.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -129.5 141.02 51.09 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 113.421 -1.718 . . . . 0.0 106.764 169.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.454 ' HB2' ' HE2' ' B' ' 27' ' ' PHE . 36.4 t -101.83 178.18 4.69 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.172 0.589 . . . . 0.0 110.154 -174.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -92.55 -7.41 47.29 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.298 0.639 . . . . 0.0 109.847 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.37 3.81 83.06 Favored Glycine 0 C--N 1.356 1.67 0 N-CA-C 114.884 0.714 . . . . 0.0 114.884 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.479 ' HD2' ' HB3' ' B' ' 37' ' ' SER . 80.5 t80 75.63 -63.34 0.41 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.429 1.492 . . . . 0.0 111.089 176.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -152.67 -49.48 0.1 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.468 0.707 . . . . 0.0 111.218 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -151.24 -175.51 5.19 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.627 0.771 . . . . 0.0 109.124 -172.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.422 ' HB2' ' CD1' ' B' ' 14' ' ' TYR . 48.1 tttm -70.07 -47.4 62.09 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.978 0.808 . . . . 0.0 110.685 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.24 81.1 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.254 0.549 . . . . 0.0 110.741 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.479 ' HB3' ' HD2' ' B' ' 32' ' ' TYR . 3.7 m -65.98 -29.87 70.33 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.819 176.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.78 67.02 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.869 0.868 . . . . 0.0 110.327 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.406 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.9 mp -54.84 -50.39 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 118.301 0.5 . . . . 0.0 110.949 172.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -59.06 -36.23 74.7 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.106 0.562 . . . . 0.0 111.673 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.491 ' HB3' ' HE2' ' A' ' 26' ' ' MET . . . -62.62 -51.69 66.29 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.367 172.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.496 ' O ' ' HD2' ' B' ' 46' ' ' LYS . 77.8 mt -61.01 -25.66 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 O-C-N 122.092 -0.38 . . . . 0.0 111.682 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 47.7 mt-10 -68.91 -30.12 68.53 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.454 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 32.2 m -58.57 -39.04 79.19 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.144 0.578 . . . . 0.0 111.362 169.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.528 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.2 mm -67.95 -41.53 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 124.025 0.828 . . . . 0.0 108.967 -174.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.496 ' HD2' ' O ' ' B' ' 42' ' ' ILE . 0.7 OUTLIER -57.52 -29.64 64.5 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.824 1.249 . . . . 0.0 113.79 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 31.2 mmm180 -69.8 -47.91 61.08 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -170.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -174.59 16.21 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 O-C-N 123.371 0.419 . . . . 0.0 111.98 -171.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.528 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 24.0 t -66.25 -30.63 71.11 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.405 -0.809 . . . . 0.0 112.214 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.24 76.87 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.753 0.421 . . . . 0.0 111.492 171.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.33 2.74 68.44 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 119.567 -0.574 . . . . 0.0 113.977 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.58 157.58 26.56 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.5 0.72 . . . . 0.0 112.229 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 19.8 t70 -82.49 152.84 25.89 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 16.8 m -116.48 100.55 7.94 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.035 0.534 . . . . 0.0 110.211 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.1 p -105.1 130.78 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.264 0.626 . . . . 0.0 110.656 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.502 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.5 t70 -98.79 108.43 21.12 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.956 0.903 . . . . 0.0 110.212 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.16 -19.76 50.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.29 1.036 . . . . 0.0 112.206 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.524 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 8.9 t -89.52 12.66 15.92 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 118.409 0.549 . . . . 0.0 111.515 -174.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 p -80.31 -23.21 40.82 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 168.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 44.9 ttm -118.92 83.88 2.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.245 1.018 . . . . 0.0 108.432 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 51.1 p -107.15 115.81 30.84 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 171.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -179.093 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.0 ttp . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.42 172.8 2.37 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.711 0.804 . . . . 0.0 112.571 173.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.89 178.65 8.71 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.417 -172.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.32 120.36 39.82 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.712 1.205 . . . . 0.0 109.375 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HB2' ' HG2' ' A' ' 17' ' ' ARG . 46.6 mt-10 -96.7 111.32 23.53 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 175.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.498 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 42.4 mt -102.8 116.04 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.59 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 35.9 p90 -139.9 -177.85 5.17 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -122.22 155.48 35.76 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 165.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -88.23 159.75 18.0 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.356 -1.293 . . . . 0.0 108.69 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -34.27 2.23 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.681 1.593 . . . . 0.0 113.353 176.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.8 4.7 3.06 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.097 0.959 . . . . 0.0 112.91 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.51 35.07 89.5 Favored Glycine 0 C--N 1.36 1.891 0 C-N-CA 123.917 0.77 . . . . 0.0 112.39 -174.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -111.05 130.28 55.65 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.019 0.528 . . . . 0.0 109.611 -174.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -84.88 127.32 34.1 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -128.04 135.21 49.54 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -122.18 131.09 53.77 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 167.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' HD2' ' HE1' ' A' ' 7' ' ' TYR . 8.9 ptm180 -113.07 164.83 12.99 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.999 0.919 . . . . 0.0 109.059 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.655 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 15.1 t80 -121.62 133.56 54.99 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 171.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -98.6 -179.64 4.38 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.619 -173.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.407 ' HB1' ' HG2' ' A' ' 24' ' ' GLU . . . -132.17 162.6 30.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.226 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 m -53.01 -35.19 59.13 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.622 1.169 . . . . 0.0 113.331 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.403 HD22 ' HB3' ' A' ' 24' ' ' GLU . 4.6 p-10 -83.38 -3.09 57.2 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.986 0.514 . . . . 0.0 111.887 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.9 49.36 6.49 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 123.5 0.571 . . . . 0.0 112.98 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.407 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 10.0 pt-20 -125.15 154.06 42.07 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 174.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.3 m -95.36 144.52 25.83 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.207 0.603 . . . . 0.0 109.585 174.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.655 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.9 ppp? -121.33 -30.51 4.27 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.606 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.48 ' HD2' ' HE3' ' A' ' 26' ' ' MET . 3.3 p90 -138.44 149.13 45.17 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.571 0.7 . . . . 0.0 110.901 167.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 m -123.8 132.42 53.78 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 113.327 -1.76 . . . . 0.0 106.47 169.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -111.99 164.79 12.74 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 123.302 0.641 . . . . 0.0 109.523 -174.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.65 2.18 20.32 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.973 0.909 . . . . 0.0 111.807 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.06 -6.98 61.09 Favored Glycine 0 N--CA 1.477 1.373 0 CA-C-O 120.055 -0.303 . . . . 0.0 113.693 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.9 t80 78.8 -52.11 0.46 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.599 1.96 . . . . 0.0 111.649 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -165.35 -57.82 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.598 0.759 . . . . 0.0 110.364 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.41 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -146.36 -169.99 3.39 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.043 0.937 . . . . 0.0 108.62 -174.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -65.75 -47.5 75.03 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.569 0.622 . . . . 0.0 110.677 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.86 -44.5 70.41 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.213 0.53 . . . . 0.0 110.787 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.41 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 14.8 m -72.19 -28.42 63.19 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.15 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.81 -55.55 14.39 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 123.537 0.735 . . . . 0.0 110.72 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 2.8 mp -60.11 -48.48 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-O 118.929 -0.558 . . . . 0.0 110.36 177.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -57.14 -39.74 75.78 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 123.561 0.538 . . . . 0.0 110.864 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.496 ' HB3' ' HE3' ' B' ' 26' ' ' MET . . . -58.73 -56.13 26.1 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 173.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.462 HG22 ' HD3' ' A' ' 46' ' ' LYS . 87.7 mt -57.63 -24.64 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 123.519 0.728 . . . . 0.0 111.981 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' HA ' ' HG2' ' A' ' 46' ' ' LYS . 23.3 mm-40 -66.78 -28.75 68.64 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.916 0.486 . . . . 0.0 110.569 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -55.56 -43.47 75.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 123.651 0.595 . . . . 0.0 112.109 165.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.504 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.7 mm -66.13 -41.02 88.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-O 121.573 0.701 . . . . 0.0 109.148 -172.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.532 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 6.6 mmmm -61.69 -22.21 65.14 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 114.76 -1.109 . . . . 0.0 113.277 -174.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 16.2 mmt180 -77.31 -63.77 1.29 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.195 -172.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -153.26 15.5 0.53 Allowed 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 122.366 0.266 . . . . 0.0 111.693 -169.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.504 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 21.7 t -67.2 -33.73 76.01 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -174.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -60.97 -26.34 67.48 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.85 0.46 . . . . 0.0 111.914 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.72 -4.03 39.8 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-O 119.619 -0.545 . . . . 0.0 113.878 175.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.26 140.25 58.7 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.689 0.796 . . . . 0.0 110.627 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.8 154.74 41.44 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 117.782 0.264 . . . . 0.0 110.421 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.7 m -115.81 99.88 7.61 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.238 0.615 . . . . 0.0 109.775 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.0 t -99.54 127.67 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.687 0.795 . . . . 0.0 109.724 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.439 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 13.6 t70 -104.08 112.28 25.22 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.205 0.602 . . . . 0.0 109.587 173.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.37 -20.6 28.03 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.283 1.433 . . . . 0.0 112.271 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.599 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 10.3 t -92.89 15.94 13.68 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.582 0.706 . . . . 0.0 111.441 -171.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.28 2.52 24.29 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.22 0.608 . . . . 0.0 109.961 166.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 24.3 ttt -73.87 -39.26 64.08 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.701 0.8 . . . . 0.0 109.899 166.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.0 p -91.71 148.62 22.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.552 0.741 . . . . 0.0 110.864 -176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 C-N-CA 124.111 0.964 . . . . 0.0 108.789 177.28 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.3 ttm . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.17 178.52 10.24 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.824 0.85 . . . . 0.0 111.311 177.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.65 178.23 7.46 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 123.422 0.689 . . . . 0.0 112.029 -174.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -100.49 120.11 39.5 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.014 1.326 . . . . 0.0 109.226 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.93 111.05 23.43 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 28.4 mt -103.11 116.08 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.599 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 21.1 p90 -139.88 -177.79 5.14 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -122.75 154.23 38.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 166.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -87.43 160.21 18.4 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.147 1.379 . . . . 0.0 108.263 175.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.555 ' HB2' ' HZ1' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -45.64 -34.24 3.34 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.794 1.638 . . . . 0.0 113.165 176.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.37 4.46 2.93 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.189 0.996 . . . . 0.0 112.894 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.81 34.89 88.68 Favored Glycine 0 C--N 1.348 1.234 0 C-N-CA 123.835 0.731 . . . . 0.0 112.504 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.45 130.84 55.47 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.114 0.566 . . . . 0.0 109.889 -174.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -84.72 127.86 34.32 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -173.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -128.18 135.04 49.18 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 175.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -121.92 131.02 53.8 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 166.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.529 ' HD2' HG23 ' B' ' 25' ' ' THR . 24.6 mtm180 -112.42 165.3 12.33 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 123.964 0.906 . . . . 0.0 109.216 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.642 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 16.7 t80 -122.12 133.31 54.76 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 171.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -98.1 -178.96 4.23 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.854 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.31 162.3 32.19 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.043 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -53.35 -34.41 57.45 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.706 1.202 . . . . 0.0 113.567 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -83.18 -4.63 58.59 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.423 0.689 . . . . 0.0 111.291 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.31 47.35 6.98 Favored Glycine 0 C--N 1.344 0.985 0 C-N-CA 123.451 0.548 . . . . 0.0 112.875 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -123.47 152.97 41.13 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.388 0.675 . . . . 0.0 109.582 174.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.529 HG23 ' HD2' ' B' ' 17' ' ' ARG . 63.6 m -94.48 144.19 25.78 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.293 0.637 . . . . 0.0 109.437 174.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.642 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.9 ppp? -121.17 -30.69 4.28 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.547 -175.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.47 ' HD2' ' HE1' ' B' ' 26' ' ' MET . 3.7 p90 -138.17 149.09 45.52 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.539 0.685 . . . . 0.0 110.784 167.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.3 m -123.15 132.53 54.11 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 113.404 -1.726 . . . . 0.0 106.544 170.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.419 ' HG ' ' HB2' ' A' ' 27' ' ' PHE . 46.6 t -112.72 164.77 12.97 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.052 0.541 . . . . 0.0 109.575 -174.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -77.83 2.34 17.52 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.671 0.788 . . . . 0.0 111.649 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.38 -6.84 59.41 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-O 119.901 -0.388 . . . . 0.0 113.964 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.8 t80 78.08 -51.48 0.5 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.68 1.992 . . . . 0.0 111.535 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -165.28 -58.02 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.733 0.813 . . . . 0.0 110.342 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.405 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -145.7 -169.88 3.33 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.886 0.874 . . . . 0.0 108.642 -174.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.562 ' NZ ' HG21 ' A' ' 58' ' ' THR . 17.9 ttmm -65.49 -47.72 75.08 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.462 0.574 . . . . 0.0 110.477 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.66 -44.2 73.07 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.933 0.493 . . . . 0.0 110.683 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.405 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 6.3 m -72.11 -28.89 63.58 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.01 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.35 -55.66 14.85 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.624 0.77 . . . . 0.0 110.778 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 mp -60.01 -47.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 122.883 0.473 . . . . 0.0 110.638 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -58.23 -39.22 78.5 Favored 'General case' 0 C--O 1.258 1.508 0 O-C-N 123.582 0.551 . . . . 0.0 110.679 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.48 ' HB3' ' HE2' ' A' ' 26' ' ' MET . . . -59.28 -56.14 25.91 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 173.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.453 HG22 ' HD3' ' B' ' 46' ' ' LYS . 88.4 mt -57.32 -24.81 22.19 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 123.583 0.753 . . . . 0.0 111.895 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.546 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 46.5 mt-10 -67.04 -28.15 67.99 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 122.719 0.408 . . . . 0.0 110.819 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 22.3 m -55.65 -43.46 76.27 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 123.443 0.465 . . . . 0.0 112.036 165.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.496 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.8 mm -66.5 -40.82 87.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -172.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.546 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.6 mmmm -62.19 -22.02 65.58 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 114.869 -1.06 . . . . 0.0 113.446 -174.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 26.4 mmm180 -76.21 -65.82 0.87 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.894 -172.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -151.59 14.98 0.67 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.035 0.534 . . . . 0.0 111.86 -169.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.496 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 19.8 t -67.23 -33.41 75.3 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -173.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -61.16 -26.62 67.82 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.878 0.471 . . . . 0.0 112.031 172.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.32 -4.4 40.84 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-O 119.377 -0.679 . . . . 0.0 113.848 175.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.37 139.54 58.78 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.866 0.866 . . . . 0.0 110.562 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.62 154.13 42.14 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 117.881 0.31 . . . . 0.0 110.558 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 58.6 m -115.45 100.13 7.87 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.096 0.558 . . . . 0.0 109.818 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -99.24 127.77 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.949 0.899 . . . . 0.0 109.703 -177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.498 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 4.5 t70 -103.52 112.51 25.45 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.234 1.014 . . . . 0.0 109.769 172.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.11 -21.7 24.53 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 124.868 1.267 . . . . 0.0 113.001 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.59 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.7 t -91.6 -18.72 23.61 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 119.417 1.008 . . . . 0.0 113.065 -168.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.0 p 33.3 40.26 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -174.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 43.8 ttm -133.55 128.02 34.37 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -177.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 40.8 p -70.79 -65.01 0.79 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.534 0.734 . . . . 0.0 111.713 -175.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -177.431 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 ttm . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -155.1 175.42 13.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.613 0.765 . . . . 0.0 110.466 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -162.23 -179.87 7.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.204 0.526 . . . . 0.0 112.131 -172.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.4 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 89.3 m-85 -99.34 120.49 39.66 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.643 1.177 . . . . 0.0 110.486 176.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -94.77 107.87 19.88 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.325 0.65 . . . . 0.0 110.291 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 43.6 mt -99.29 123.67 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.492 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.6 p90 -155.02 -177.41 6.51 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 120.791 0.329 . . . . 0.0 110.406 173.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -115.06 145.7 42.04 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 172.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.454 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 15.6 t70 -79.13 162.53 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -48.77 -35.15 13.64 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.973 1.309 . . . . 0.0 111.765 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.414 ' HB2' ' HG3' ' A' ' 13' ' ' GLU . . . -74.7 7.16 3.24 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.005 0.922 . . . . 0.0 112.937 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.35 77.13 Favored Glycine 0 C--N 1.342 0.904 0 C-N-CA 124.258 0.932 . . . . 0.0 113.156 -176.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 46.7 mt-10 -93.76 95.51 9.19 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 116.817 0.309 . . . . 0.0 111.188 -168.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -54.66 133.77 46.9 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.125 0.488 . . . . 0.0 111.261 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -156.28 138.18 14.39 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 126.004 1.721 . . . . 0.0 108.822 -172.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -114.66 138.59 50.5 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.531 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 81.8 mtp180 -118.21 161.9 19.13 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.931 0.893 . . . . 0.0 108.735 -176.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.622 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 14.2 t80 -124.31 132.27 53.55 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -99.38 -179.4 4.21 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.978 -172.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -134.56 157.31 46.88 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.094 1.358 . . . . 0.0 107.752 177.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.5 p -51.21 -26.89 7.68 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -91.19 13.12 17.97 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.015 0.926 . . . . 0.0 111.897 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.34 16.39 77.23 Favored Glycine 0 C--N 1.35 1.311 0 C-N-CA 123.322 0.487 . . . . 0.0 113.444 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 22.1 mm-40 -81.87 155.56 25.28 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.565 0.746 . . . . 0.0 109.902 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 m -117.95 147.85 42.76 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.622 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -124.01 -12.89 7.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.806 0.843 . . . . 0.0 111.814 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' A' ' 29' ' ' SER . 6.6 p90 -159.51 160.72 34.92 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.95 0.881 . . . . 0.0 112.66 164.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.531 ' HA ' ' HG2' ' A' ' 17' ' ' ARG . 40.0 t -125.03 140.15 53.16 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 112.543 -2.117 . . . . 0.0 106.15 166.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.431 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 46.0 t -98.71 177.51 5.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.77 3.81 54.96 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 122.816 0.447 . . . . 0.0 110.131 168.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.57 -12.89 57.92 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 115.077 0.791 . . . . 0.0 115.077 170.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 t80 81.71 -57.31 0.25 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.863 1.665 . . . . 0.0 110.494 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -154.96 -56.02 0.1 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.048 0.539 . . . . 0.0 110.011 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.97 -172.17 3.81 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.152 0.981 . . . . 0.0 109.124 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.7 ' HD3' HG21 ' B' ' 58' ' ' THR . 22.5 pttp -71.51 -42.56 67.86 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 119.041 0.837 . . . . 0.0 111.886 -174.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.07 96.0 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.198 0.523 . . . . 0.0 110.606 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 m -66.33 -24.27 66.5 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.101 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.71 -40.82 65.88 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.151 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 mp -57.15 -49.8 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 118.728 0.694 . . . . 0.0 109.903 170.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -57.61 -39.49 77.01 Favored 'General case' 0 C--O 1.254 1.296 0 O-C-N 123.719 0.637 . . . . 0.0 111.171 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB3' ' HE1' ' B' ' 26' ' ' MET . . . -62.73 -52.05 64.77 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.254 174.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.505 ' HA ' HG12 ' A' ' 45' ' ' ILE . 84.0 mt -60.25 -23.8 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 123.083 0.553 . . . . 0.0 111.745 178.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 54.7 mt-10 -65.94 -34.52 78.3 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 6.0 m -56.17 -40.33 73.73 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.608 0.568 . . . . 0.0 111.722 169.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.543 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 5.5 mm -66.88 -39.7 84.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 123.729 0.643 . . . . 0.0 109.667 -173.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.529 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 9.7 mmmm -63.4 -27.81 69.56 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.725 -176.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 43' ' ' GLU . 93.9 mtt180 -71.09 -54.15 12.14 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.058 -0.974 . . . . 0.0 113.316 -171.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -164.13 15.62 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.543 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.9 t -68.54 -33.25 73.77 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 121.76 -0.588 . . . . 0.0 112.038 -176.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -65.14 -15.58 62.56 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.85 -6.72 28.15 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.434 -0.648 . . . . 0.0 114.011 171.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.56 129.89 40.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.867 0.867 . . . . 0.0 112.491 -176.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.29 155.1 25.8 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.564 0.746 . . . . 0.0 111.727 -176.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.9 m -111.0 100.71 9.36 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.061 0.544 . . . . 0.0 110.391 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.4 t -100.17 124.83 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.89 0.876 . . . . 0.0 110.153 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.486 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.9 t70 -104.1 109.91 21.88 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.115 0.966 . . . . 0.0 110.113 174.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -86.82 -18.34 31.22 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.671 1.188 . . . . 0.0 112.524 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.588 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 14.0 t -91.81 20.16 5.88 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.224 0.535 . . . . 0.0 112.087 -172.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -20.8 63.86 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.681 0.392 . . . . 0.0 110.327 165.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.9 ttm -64.96 90.43 0.08 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.29 1.036 . . . . 0.0 109.021 171.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 m -71.22 -23.74 62.07 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.182 -171.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 170.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttm . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -69.47 169.02 13.31 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.524 0.678 . . . . 0.0 111.961 172.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.47 179.59 8.49 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.534 -169.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.439 ' HZ ' HG22 ' B' ' 45' ' ' ILE . 76.3 m-85 -98.89 119.81 38.28 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.762 1.225 . . . . 0.0 110.562 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -94.39 108.02 19.95 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.22 0.608 . . . . 0.0 109.832 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.486 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 47.7 mt -99.41 124.23 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.588 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 30.2 p90 -155.27 -177.47 6.57 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 173.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.419 HE21 ' HA2' ' B' ' 12' ' ' GLY . 10.5 pt20 -115.05 145.05 42.7 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 172.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.538 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 23.6 t70 -78.41 162.43 26.43 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.827 0.851 . . . . 0.0 108.812 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -47.98 -34.48 9.35 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.752 1.221 . . . . 0.0 112.872 177.023 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.492 ' N ' ' HD2' ' B' ' 10' ' ' LYS . . . -76.29 7.41 4.32 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.079 0.952 . . . . 0.0 112.601 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.419 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 77.06 19.66 76.97 Favored Glycine 0 C--N 1.343 0.923 0 C-N-CA 124.298 0.952 . . . . 0.0 113.324 -176.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.538 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 39.8 mt-10 -94.27 95.76 9.14 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.769 0.284 . . . . 0.0 111.443 -169.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -55.36 131.18 45.1 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.491 0.494 . . . . 0.0 111.184 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -152.61 138.86 18.38 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 126.352 1.861 . . . . 0.0 108.222 -173.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -114.3 138.17 50.85 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 168.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.577 ' HE ' HG23 ' B' ' 25' ' ' THR . 82.8 mtp180 -116.32 161.81 18.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.372 1.069 . . . . 0.0 108.575 -177.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.614 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 13.4 t80 -124.1 132.48 53.66 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -99.37 -179.57 4.26 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.948 -172.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' B' ' 24' ' ' GLU . . . -134.09 157.36 46.35 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.072 1.349 . . . . 0.0 107.71 176.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 16.2 m -51.58 -26.57 8.97 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.614 1.166 . . . . 0.0 113.409 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.434 ' HB2' ' HG2' ' B' ' 24' ' ' GLU . 64.0 m-20 -91.15 12.88 18.63 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.058 0.943 . . . . 0.0 111.749 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.21 16.42 77.0 Favored Glycine 0 C--N 1.35 1.317 0 C-N-CA 123.56 0.6 . . . . 0.0 113.689 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.529 ' HB2' ' HB2' ' B' ' 20' ' ' ALA . 20.8 mm-40 -81.68 155.55 25.51 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.675 0.79 . . . . 0.0 109.307 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.577 HG23 ' HE ' ' B' ' 17' ' ' ARG . 22.4 m -117.69 148.03 42.37 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 171.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.614 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.5 ppp? -123.87 -12.65 7.52 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.699 0.8 . . . . 0.0 111.82 -177.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.413 ' HE2' ' HB2' ' B' ' 29' ' ' SER . 6.8 p90 -159.96 160.74 33.77 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.858 0.837 . . . . 0.0 112.51 164.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -125.1 140.43 52.89 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 112.496 -2.138 . . . . 0.0 106.045 166.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.413 ' HB2' ' HE2' ' B' ' 27' ' ' PHE . 43.8 t -99.17 178.04 5.03 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -93.58 3.93 54.74 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.05 -13.39 54.65 Favored Glycine 0 C--N 1.363 2.054 0 N-CA-C 115.365 0.906 . . . . 0.0 115.365 170.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 34.1 t80 81.06 -56.66 0.29 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.007 1.723 . . . . 0.0 110.748 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -154.76 -55.89 0.1 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.071 0.548 . . . . 0.0 109.93 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.38 -172.29 3.81 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.995 0.918 . . . . 0.0 108.947 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -42.17 67.61 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 119.019 0.827 . . . . 0.0 111.865 -174.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.99 95.67 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.14 0.495 . . . . 0.0 110.589 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 16.5 m -66.72 -23.96 66.17 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.245 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.26 -40.49 64.56 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.028 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 mp -56.99 -48.9 80.89 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 CA-C-N 118.857 0.753 . . . . 0.0 110.092 170.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -59.41 -39.19 82.65 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.687 0.756 . . . . 0.0 110.637 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.521 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -62.79 -52.09 64.53 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.252 174.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.494 ' HA ' HG12 ' B' ' 45' ' ' ILE . 87.2 mt -60.05 -24.09 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.106 0.563 . . . . 0.0 111.604 177.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 44.8 mt-10 -65.95 -34.16 77.48 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 119.16 -0.447 . . . . 0.0 109.857 177.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 21.7 m -56.3 -40.47 74.37 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.643 0.59 . . . . 0.0 111.676 169.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.552 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.0 mm -66.48 -39.89 85.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.755 -174.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.1 mmmm -63.63 -27.73 69.43 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.398 -176.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 19.2 mmt180 -71.19 -54.17 11.92 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.58 -170.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -164.3 15.57 0.05 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -170.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.552 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 13.6 t -68.63 -33.3 73.78 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.552 -0.718 . . . . 0.0 112.121 -177.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -65.7 -15.25 62.62 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 172.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.37 -7.38 28.35 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-O 119.471 -0.627 . . . . 0.0 114.045 171.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.32 129.58 40.18 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.115 0.966 . . . . 0.0 112.427 -175.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.48 154.46 24.44 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.01 0.924 . . . . 0.0 111.8 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.6 m -111.07 100.38 9.07 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.199 0.6 . . . . 0.0 110.311 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 58.5 t -99.72 125.62 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.741 0.816 . . . . 0.0 110.286 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.451 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 8.8 t70 -104.88 110.39 22.74 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.529 0.731 . . . . 0.0 109.867 174.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.46 -19.49 29.51 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.579 1.152 . . . . 0.0 112.426 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.7 HG21 ' HD3' ' A' ' 35' ' ' LYS . 12.3 t -98.14 15.87 22.98 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.178 0.514 . . . . 0.0 111.139 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.2 p -78.8 -33.89 45.88 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 166.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 15.4 tpt -96.46 -59.32 1.85 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.184 0.994 . . . . 0.0 110.631 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 67.1 p -113.78 -157.88 0.64 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.188 0.995 . . . . 0.0 109.476 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.306 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 168.734 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.2 ttm . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -154.19 176.08 12.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.054 0.942 . . . . 0.0 110.455 175.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.526 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -159.96 176.66 11.61 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.797 -173.571 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -100.79 119.58 38.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.489 1.116 . . . . 0.0 109.346 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -94.93 112.91 24.59 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.408 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 51.7 mt -106.51 121.55 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.584 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 47.0 p90 -158.1 -175.85 5.58 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.4 0.619 . . . . 0.0 110.792 177.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -119.06 145.84 45.57 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 171.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -104.26 -179.03 3.83 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -35.45 1.78 Allowed 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 126.085 1.754 . . . . 0.0 114.815 -173.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.28 9.73 4.35 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.549 0.739 . . . . 0.0 112.115 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.41 24.53 63.83 Favored Glycine 0 C--N 1.357 1.717 0 C-N-CA 123.899 0.761 . . . . 0.0 112.047 -169.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -98.78 134.49 41.6 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -168.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.446 ' O ' ' HD3' ' A' ' 15' ' ' ARG . 57.1 m-85 -92.24 130.1 38.03 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -172.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -139.25 137.11 35.64 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.774 1.63 . . . . 0.0 108.511 -179.409 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -118.69 133.37 55.9 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 167.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -127.03 158.13 37.77 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.953 0.901 . . . . 0.0 108.982 -174.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.662 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 14.1 t80 -116.48 132.42 56.68 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -100.3 179.96 4.3 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.64 -1.163 . . . . 0.0 111.147 -171.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.41 160.08 36.14 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.434 1.094 . . . . 0.0 108.666 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.1 m -44.38 -37.2 3.22 Favored 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -102.76 16.15 27.31 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 122.655 0.382 . . . . 0.0 111.873 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.23 12.28 65.68 Favored Glycine 0 N--CA 1.472 1.072 0 N-CA-C 114.853 0.701 . . . . 0.0 114.853 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -76.91 157.91 31.06 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.989 0.516 . . . . 0.0 110.512 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.9 m -120.27 139.41 52.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.155 0.582 . . . . 0.0 109.441 174.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.662 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.8 ppp? -115.84 -24.78 8.02 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.779 0.832 . . . . 0.0 111.722 -174.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.425 ' HD1' ' SD ' ' A' ' 26' ' ' MET . 3.1 p90 -147.12 154.62 41.34 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.5 0.667 . . . . 0.0 111.241 168.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.5 t -127.08 135.03 50.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 166.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 35.8 t -93.48 -175.72 3.88 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -87.94 -4.68 58.8 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 171.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.45 -18.25 55.26 Favored Glycine 0 C--N 1.356 1.669 0 C-N-CA 123.532 0.587 . . . . 0.0 113.473 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.2 t80 81.81 -51.19 0.24 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.218 1.807 . . . . 0.0 110.925 174.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -162.2 -53.97 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.859 0.864 . . . . 0.0 109.489 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.1 -171.67 3.14 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.15 0.98 . . . . 0.0 108.462 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.37 -40.05 74.22 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 118.736 0.698 . . . . 0.0 112.242 -173.682 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' N ' ' HD3' ' A' ' 35' ' ' LYS . . . -60.76 -42.93 98.4 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 118.135 0.425 . . . . 0.0 110.942 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -67.95 -25.98 65.72 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.088 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.3 -47.06 52.82 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 123.741 0.65 . . . . 0.0 110.875 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.424 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.1 mp -53.51 -53.27 25.98 Favored 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 123.17 0.588 . . . . 0.0 110.52 171.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -61.21 -36.27 79.45 Favored 'General case' 0 C--O 1.255 1.394 0 O-C-N 123.662 0.601 . . . . 0.0 111.764 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -61.1 -54.15 48.14 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 174.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.404 ' HA ' HG12 ' A' ' 45' ' ' ILE . 94.3 mt -60.08 -22.0 23.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 123.143 0.577 . . . . 0.0 112.069 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 44.7 mt-10 -71.12 -27.42 63.56 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 122.111 -0.368 . . . . 0.0 110.049 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 39.1 m -55.92 -41.69 74.95 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 123.727 0.642 . . . . 0.0 112.028 165.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.432 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 4.3 mm -68.9 -40.08 80.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -173.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.4 mmmm -64.51 -18.68 65.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.073 0.949 . . . . 0.0 113.255 -176.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 28.0 mmt180 -70.49 -69.83 0.34 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 124.036 0.835 . . . . 0.0 111.709 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -154.96 16.28 0.42 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.536 0.734 . . . . 0.0 110.502 -170.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.432 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.7 t -64.78 -31.86 73.28 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.535 -0.728 . . . . 0.0 112.655 -174.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.84 -25.72 68.29 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.783 0.433 . . . . 0.0 111.781 172.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.41 4.82 33.18 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.835 -0.425 . . . . 0.0 113.603 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.6 174.82 0.7 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.691 0.796 . . . . 0.0 112.091 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.569 ' HB2' ' HB3' ' B' ' 3' ' ' LYS . 10.1 m-20 -100.63 153.94 19.0 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.9 m -115.86 108.03 15.78 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.099 0.56 . . . . 0.0 109.697 175.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -109.12 127.74 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.245 1.018 . . . . 0.0 109.731 -177.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -107.29 110.03 21.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.314 0.646 . . . . 0.0 109.562 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.484 ' HB2' ' HB3' ' B' ' 7' ' ' TYR . 2.6 mm? -83.16 -19.4 36.69 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.563 1.145 . . . . 0.0 111.985 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.485 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.5 t -88.38 25.07 1.74 Allowed 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -172.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 p -133.9 -42.39 0.82 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.805 1.242 . . . . 0.0 108.564 166.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 59.0 mtt -70.39 -69.92 0.33 Allowed 'General case' 0 C--N 1.356 0.852 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.847 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.4 p -144.67 109.11 4.86 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.548 0.739 . . . . 0.0 109.869 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 C-N-CA 125.382 1.473 . . . . 0.0 108.127 179.663 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.4 ttt . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -76.5 177.9 7.05 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.519 0.728 . . . . 0.0 112.552 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.569 ' HB3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -164.17 177.01 8.71 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.541 -171.36 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -100.71 119.6 38.84 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.466 1.107 . . . . 0.0 109.32 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -95.11 112.44 24.14 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mt -106.16 121.0 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.485 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 27.3 p90 -158.24 -175.97 5.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.45 0.643 . . . . 0.0 111.546 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.412 HE21 ' HA2' ' B' ' 12' ' ' GLY . 13.2 pt20 -118.66 146.88 44.34 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 172.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -106.3 179.65 4.21 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -43.64 -35.39 1.76 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.086 1.754 . . . . 0.0 114.844 -172.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.27 10.18 3.92 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.437 0.695 . . . . 0.0 112.104 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.412 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 61.55 24.68 64.3 Favored Glycine 0 C--N 1.356 1.663 0 C-N-CA 123.79 0.71 . . . . 0.0 112.061 -169.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -99.09 133.35 43.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.352 0.661 . . . . 0.0 109.502 -168.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -91.84 130.0 37.69 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -172.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.87 137.33 34.81 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.495 1.518 . . . . 0.0 108.816 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -118.49 133.12 56.12 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 167.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.27 158.25 37.69 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.992 0.917 . . . . 0.0 110.028 -175.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.636 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 15.8 t80 -116.4 132.09 56.77 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -100.5 179.51 4.42 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.062 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.76 159.33 37.61 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.592 1.157 . . . . 0.0 108.899 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 37.2 m -43.81 -37.01 2.54 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -102.9 16.26 27.11 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 118.184 0.447 . . . . 0.0 111.684 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.45 11.75 65.98 Favored Glycine 0 N--CA 1.474 1.218 0 N-CA-C 114.541 0.576 . . . . 0.0 114.541 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -76.24 158.23 31.81 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 117.166 0.483 . . . . 0.0 110.429 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -120.48 139.21 53.21 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.636 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.8 ppp? -115.76 -24.67 8.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.921 0.888 . . . . 0.0 111.779 -174.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.428 ' HD1' ' SD ' ' B' ' 26' ' ' MET . 3.2 p90 -147.18 154.45 41.08 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.373 0.606 . . . . 0.0 111.191 167.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.5 t -126.45 135.59 51.57 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 166.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 32.6 t -93.62 -175.66 3.84 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -177.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -88.67 -4.16 58.61 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 171.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.4 -17.76 56.49 Favored Glycine 0 C--N 1.359 1.854 0 CA-C-O 119.562 -0.577 . . . . 0.0 113.359 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 11.0 t80 81.34 -51.19 0.28 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 126.25 1.82 . . . . 0.0 110.704 174.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -162.43 -53.67 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.792 0.837 . . . . 0.0 109.514 173.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.66 -171.66 3.02 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' B' ' 36' ' ' ALA . 0.1 OUTLIER -70.54 -39.84 73.76 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 118.64 0.654 . . . . 0.0 112.127 -173.302 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.46 ' N ' ' HD3' ' B' ' 35' ' ' LYS . . . -60.55 -43.21 97.49 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 118.251 0.478 . . . . 0.0 110.968 177.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 49.4 m -68.04 -25.7 65.5 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.239 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.31 -47.07 52.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.186 0.595 . . . . 0.0 110.903 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -53.89 -52.72 33.09 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 C-N-CA 123.078 0.551 . . . . 0.0 110.378 172.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -61.37 -36.32 79.89 Favored 'General case' 0 C--O 1.257 1.448 0 C-N-CA 123.319 0.648 . . . . 0.0 111.743 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -61.17 -54.21 47.3 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 174.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.86 -22.8 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.387 0.675 . . . . 0.0 112.046 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.475 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 43.2 mt-10 -69.85 -28.12 65.41 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 25.0 m -56.16 -41.39 75.38 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.726 0.641 . . . . 0.0 111.803 165.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.43 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.8 mm -69.14 -39.61 79.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.475 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.9 mmmm -65.64 -18.45 65.34 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.757 -176.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 51.6 mmt-85 -69.29 -71.49 0.22 Allowed 'General case' 0 N--CA 1.478 0.933 0 O-C-N 124.039 0.837 . . . . 0.0 111.532 -176.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -153.86 16.46 0.5 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.523 0.729 . . . . 0.0 110.784 -170.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.7 t -65.55 -31.31 72.29 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.08 -25.6 68.18 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 122.691 0.396 . . . . 0.0 111.674 172.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.57 5.13 32.95 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-O 119.525 -0.597 . . . . 0.0 113.638 174.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.21 175.03 0.59 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.673 0.789 . . . . 0.0 112.084 172.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 32.4 t70 -101.59 153.86 19.37 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.9 m -115.85 108.18 15.97 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 40.7 t -108.72 127.76 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.445 1.098 . . . . 0.0 109.704 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.408 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.9 t70 -107.14 110.23 22.27 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.544 0.738 . . . . 0.0 109.549 173.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 7' ' ' TYR . 2.5 mm? -83.79 -21.42 32.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.674 1.19 . . . . 0.0 112.487 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.584 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 12.8 t -86.66 8.43 22.41 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.869 0.758 . . . . 0.0 111.686 -169.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p -83.3 -32.92 26.08 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 169.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 44.4 ttp -89.12 95.66 10.4 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 166.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 42.1 p -66.26 108.14 2.21 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.354 0.597 . . . . 0.0 110.337 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.196 0 C-N-CA 124.274 1.03 . . . . 0.0 110.146 -169.687 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.47 ' HE3' ' HA ' ' B' ' 52' ' ' ALA . 24.4 ttt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -74.18 154.23 39.16 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.346 0.594 . . . . 0.0 111.203 170.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.27 176.67 9.69 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.511 -167.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -100.93 115.41 30.37 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.652 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -93.25 112.84 24.89 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.461 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 50.4 mt -101.01 109.59 25.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.643 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 32.9 p90 -132.79 -179.54 5.53 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 7.9 pt20 -123.29 143.78 49.85 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 163.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.19 159.32 27.43 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.12 0.968 . . . . 0.0 108.661 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.43 -33.04 3.64 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 125.674 1.59 . . . . 0.0 113.091 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.39 9.46 2.63 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.38 1.072 . . . . 0.0 112.256 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.72 26.54 74.44 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 124.041 0.829 . . . . 0.0 112.875 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 56.8 mt-10 -105.1 102.78 12.26 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.078 0.551 . . . . 0.0 109.711 -172.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.453 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 67.9 m-85 -54.12 128.94 32.9 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.99 0.424 . . . . 0.0 112.044 174.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.494 ' NH1' ' HA ' ' A' ' 30' ' ' GLU . 15.9 mmt180 -137.56 138.41 39.57 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.833 1.653 . . . . 0.0 108.388 -176.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -123.74 131.72 53.66 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 170.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -114.93 169.06 9.37 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.484 0.714 . . . . 0.0 110.044 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.576 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.2 t80 -123.98 133.61 53.65 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 171.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -101.91 -177.56 3.45 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.519 -1.219 . . . . 0.0 111.215 -172.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.538 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -132.17 159.92 37.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.979 1.312 . . . . 0.0 108.044 174.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.6 p -48.97 -31.98 8.36 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.404 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 86.3 m-20 -86.81 10.88 14.62 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.682 0.793 . . . . 0.0 112.381 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.91 12.55 83.87 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-O 119.89 -0.394 . . . . 0.0 113.086 -175.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 33.1 mm-40 -75.91 157.33 33.35 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.57 0.748 . . . . 0.0 110.056 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 m -119.21 150.65 39.71 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.576 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 2.1 ppp? -128.51 -29.82 2.39 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.457 0.703 . . . . 0.0 111.781 -176.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.445 ' HD2' ' HE2' ' A' ' 26' ' ' MET . 4.4 p90 -141.34 154.55 45.74 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.558 0.617 . . . . 0.0 111.029 167.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.5 t -130.67 134.51 47.0 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 105.712 -1.958 . . . . 0.0 105.712 165.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 35.1 t -95.11 176.57 6.18 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.241 0.617 . . . . 0.0 109.637 -173.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.494 ' HA ' ' NH1' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -89.84 0.95 56.73 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.695 0.798 . . . . 0.0 110.884 171.145 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 88.24 -11.07 68.74 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-O 119.727 -0.485 . . . . 0.0 113.996 173.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 t80 78.38 -58.17 0.45 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.775 1.63 . . . . 0.0 111.458 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -158.85 -59.18 0.07 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.428 0.691 . . . . 0.0 110.148 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.402 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -151.48 -172.44 4.21 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.193 0.997 . . . . 0.0 108.482 -175.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.746 ' HD3' ' HA ' ' B' ' 61' ' ' THR . 76.1 tttt -69.59 -47.96 61.76 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 118.918 0.781 . . . . 0.0 111.238 -177.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.6 -41.87 77.75 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 121.346 0.593 . . . . 0.0 110.54 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.1 m -68.1 -29.23 68.11 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.056 176.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.18 64.23 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 123.596 0.758 . . . . 0.0 110.688 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.3 mp -55.64 -51.46 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.004 0.522 . . . . 0.0 110.718 172.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -59.44 -36.84 76.7 Favored 'General case' 0 C--O 1.256 1.395 0 C-N-CA 123.231 0.612 . . . . 0.0 111.443 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.5 ' HB2' ' HE1' ' B' ' 26' ' ' MET . . . -60.38 -55.9 27.92 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.352 172.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.91 -27.11 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.401 0.68 . . . . 0.0 111.623 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 45.8 mt-10 -65.1 -30.8 71.77 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 119.353 -0.356 . . . . 0.0 110.674 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 19.7 m -54.22 -41.19 68.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 123.593 0.558 . . . . 0.0 111.678 168.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.522 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.2 mm -69.37 -43.65 80.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.514 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 9.2 mmmm -60.95 -25.24 66.67 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.247 1.019 . . . . 0.0 112.816 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 12.5 mmm180 -61.57 -67.14 0.44 Allowed 'General case' 0 N--CA 1.48 1.053 0 O-C-N 124.307 1.004 . . . . 0.0 111.174 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -165.0 17.79 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.557 0.343 . . . . 0.0 111.22 -168.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.522 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.9 t -63.48 -31.98 73.3 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -172.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.36 -30.77 69.77 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.163 0.585 . . . . 0.0 111.554 172.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.5 0.56 46.28 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-O 119.239 -0.756 . . . . 0.0 113.732 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.53 ' HA ' ' HE1' ' B' ' 1' ' ' MET . . . -63.13 163.06 10.67 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 117.675 0.738 . . . . 0.0 111.326 174.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -86.76 158.73 19.33 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 122.177 -0.327 . . . . 0.0 110.145 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.8 m -119.74 103.48 9.41 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.365 0.666 . . . . 0.0 109.759 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 t -98.62 133.38 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.087 0.955 . . . . 0.0 110.131 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.531 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 7.7 p-10 -102.98 105.65 16.02 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.012 0.925 . . . . 0.0 110.17 173.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.98 -32.28 39.81 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.295 1.038 . . . . 0.0 111.915 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.602 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.0 t -87.36 -12.42 46.43 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.788 0.435 . . . . 0.0 111.889 -167.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.403 HG23 HG23 ' A' ' 58' ' ' THR . 12.0 p -128.43 19.96 6.25 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.548 0.739 . . . . 0.0 109.819 -171.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 45.5 tpp -136.36 -68.12 0.5 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.8 p -99.96 113.33 25.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.288 0.635 . . . . 0.0 109.538 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.849 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -177.226 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.53 ' HE1' ' HA ' ' A' ' 52' ' ' ALA . 22.9 ttt . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -79.95 146.12 32.24 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.49 0.662 . . . . 0.0 110.111 170.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.68 176.87 10.5 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.735 -163.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -100.55 115.22 29.62 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.265 1.026 . . . . 0.0 109.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -93.44 112.69 24.66 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.531 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 47.3 mt -101.13 109.41 25.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.602 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 31.0 p90 -132.19 -178.87 5.1 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' B' ' 14' ' ' TYR . 7.9 pt20 -123.33 143.44 50.09 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 163.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -78.61 158.97 28.31 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.464 1.106 . . . . 0.0 108.727 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -46.07 -32.77 3.05 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.596 1.558 . . . . 0.0 113.265 177.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.421 ' N ' ' HD3' ' B' ' 10' ' ' LYS . . . -76.66 9.24 2.91 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 124.58 1.152 . . . . 0.0 112.371 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.67 26.51 74.43 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 123.893 0.759 . . . . 0.0 112.839 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.428 ' HB3' ' NH1' ' B' ' 15' ' ' ARG . 40.8 mt-10 -104.72 103.57 13.22 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 119.133 -0.46 . . . . 0.0 109.965 -173.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.436 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 79.7 m-85 -54.49 128.82 33.64 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 121.102 0.477 . . . . 0.0 111.806 174.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' B' ' 29' ' ' SER . 1.9 mpt_? -136.78 138.71 41.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.236 1.815 . . . . 0.0 108.413 -176.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -124.06 131.22 53.53 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 169.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.504 ' HG3' ' HE1' ' B' ' 7' ' ' TYR . 28.4 mtm180 -113.37 169.08 9.21 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.931 0.892 . . . . 0.0 109.731 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.611 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 15.9 t80 -124.67 133.75 53.11 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 169.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -102.22 -177.72 3.49 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 114.519 -1.218 . . . . 0.0 111.271 -171.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.542 ' HB1' ' HB2' ' B' ' 24' ' ' GLU . . . -132.07 159.63 38.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.751 1.22 . . . . 0.0 108.119 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -48.55 -32.13 7.55 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.535 1.134 . . . . 0.0 113.757 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -86.3 10.31 15.22 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.791 0.836 . . . . 0.0 112.487 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.15 12.61 83.98 Favored Glycine 0 C--N 1.346 1.106 0 C-N-CA 123.031 0.348 . . . . 0.0 113.22 -175.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.542 ' HB2' ' HB1' ' B' ' 20' ' ' ALA . 30.5 mm-40 -76.35 156.65 33.11 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.724 0.81 . . . . 0.0 110.214 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.5 HG21 ' HD2' ' B' ' 17' ' ' ARG . 8.3 m -118.91 150.8 39.28 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.611 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 2.1 ppp? -128.66 -30.1 2.33 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.484 0.714 . . . . 0.0 111.867 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.445 ' HD2' ' HE2' ' B' ' 26' ' ' MET . 3.8 p90 -141.06 154.22 45.85 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.435 0.636 . . . . 0.0 110.997 167.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.9 t -129.62 134.63 47.8 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 165.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' B' ' 15' ' ' ARG . 40.3 t -95.78 177.48 5.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -173.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -91.48 1.89 56.81 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.226 0.61 . . . . 0.0 109.968 172.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 87.33 -10.87 67.4 Favored Glycine 0 C--N 1.352 1.461 0 C-N-CA 123.393 0.52 . . . . 0.0 114.285 174.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 26.7 t80 78.38 -57.99 0.45 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.843 1.657 . . . . 0.0 111.43 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -158.63 -59.3 0.07 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.29 0.636 . . . . 0.0 110.229 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.48 -172.03 4.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.218 1.007 . . . . 0.0 108.612 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -46.87 64.1 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-N 118.93 0.786 . . . . 0.0 111.2 -177.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.57 -42.0 82.18 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.333 0.587 . . . . 0.0 110.516 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.2 m -67.85 -29.28 68.37 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.218 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.36 -46.32 64.33 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 123.631 0.772 . . . . 0.0 110.544 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.69 -51.46 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.175 0.59 . . . . 0.0 110.68 172.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -60.09 -36.29 77.06 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.691 0.62 . . . . 0.0 110.852 -178.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.52 ' HB3' ' HE1' ' A' ' 26' ' ' MET . . . -60.78 -55.5 32.36 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 173.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 80.6 mt -57.11 -26.98 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.354 0.662 . . . . 0.0 111.691 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.526 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 45.0 mt-10 -65.13 -31.37 72.54 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 119.372 -0.347 . . . . 0.0 110.273 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 33.5 m -53.94 -41.19 67.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 123.61 0.569 . . . . 0.0 111.39 169.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.522 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.2 mm -69.42 -43.31 80.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -174.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 9.0 mmmm -61.51 -25.15 67.09 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.25 1.02 . . . . 0.0 112.685 -176.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 62.7 mmt-85 -61.38 -67.08 0.44 Allowed 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.296 0.998 . . . . 0.0 111.075 -177.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -165.13 17.94 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.539 0.336 . . . . 0.0 111.314 -168.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.522 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 22.6 t -63.97 -31.62 72.86 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -173.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.18 -29.72 69.97 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.897 0.479 . . . . 0.0 111.434 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.6 -0.31 46.29 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-O 119.436 -0.647 . . . . 0.0 113.481 177.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.47 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -62.68 163.09 9.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.465 0.706 . . . . 0.0 111.252 174.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -87.3 159.06 18.91 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 38.5 m -120.2 103.16 9.02 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.274 0.63 . . . . 0.0 109.69 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 57.6 t -97.99 132.92 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.245 1.018 . . . . 0.0 110.325 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.461 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 4.8 t70 -102.2 108.13 19.42 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.774 0.829 . . . . 0.0 109.81 172.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.45 -32.22 29.07 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.044 0.938 . . . . 0.0 112.369 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.643 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.3 t -81.95 -2.77 52.52 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -165.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p 50.45 -66.58 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 126.091 1.756 . . . . 0.0 114.887 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 47.3 ttm -47.61 125.2 8.09 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.931 1.292 . . . . 0.0 111.957 174.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.746 ' HA ' ' HD3' ' A' ' 35' ' ' LYS . 51.0 p -82.78 151.23 26.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.078 0.951 . . . . 0.0 111.025 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.531 ' HB2' ' H ' ' A' ' 35' ' ' LYS . . . . . . . . 0 C--O 1.247 0.967 0 C-N-CA 123.691 0.796 . . . . 0.0 109.013 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttm . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -68.05 163.55 22.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.026 0.53 . . . . 0.0 111.155 167.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.476 ' HE2' ' HG2' ' A' ' 5' ' ' GLU . 0.6 OUTLIER -165.2 -179.55 5.69 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.194 -170.077 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.417 ' HZ ' HG23 ' A' ' 45' ' ' ILE . 96.7 m-85 -100.32 114.94 28.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.364 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' HG2' ' HE2' ' A' ' 3' ' ' LYS . 37.0 mt-10 -94.35 109.77 21.58 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.54 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 30.7 mt -94.25 113.16 28.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.331 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -175.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.696 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 22.1 p90 -136.5 161.23 36.44 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -102.06 145.85 28.74 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 28.3 t70 -78.8 160.7 27.25 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -47.53 -34.53 7.7 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.392 1.477 . . . . 0.0 112.101 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.77 9.03 1.61 Allowed 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.371 1.068 . . . . 0.0 113.022 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.27 29.37 73.19 Favored Glycine 0 C--N 1.351 1.386 0 C-N-CA 124.214 0.912 . . . . 0.0 113.14 -175.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 53.7 mt-10 -95.07 93.26 7.26 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -57.44 120.63 8.56 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 121.681 0.753 . . . . 0.0 111.961 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -136.05 171.59 14.24 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.008 1.723 . . . . 0.0 109.943 -167.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -143.15 141.65 31.24 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 114.558 -1.201 . . . . 0.0 107.861 165.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -117.55 148.14 42.15 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.642 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 12.3 t80 -109.79 130.42 55.52 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -98.87 -178.2 3.88 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.698 -173.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.6 161.93 33.31 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.133 0.973 . . . . 0.0 109.18 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.9 p -54.24 -30.11 49.11 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.12 0.968 . . . . 0.0 113.506 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -83.96 -15.58 47.3 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.437 0.695 . . . . 0.0 111.431 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.36 50.98 3.25 Favored Glycine 0 C--N 1.343 0.939 0 C-N-CA 122.801 0.239 . . . . 0.0 112.7 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -128.0 129.55 46.91 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.8 m -85.84 129.23 34.89 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.642 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.4 ppp? -105.12 -16.86 14.67 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.568 -175.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.443 ' HD1' ' HE2' ' A' ' 26' ' ' MET . 9.9 p90 -157.11 164.72 37.56 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 121.92 0.867 . . . . 0.0 111.15 162.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.5 t -137.28 147.38 45.64 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 112.95 -1.932 . . . . 0.0 107.111 165.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.2 m -78.36 161.04 27.47 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -33.44 74.95 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.706 0.803 . . . . 0.0 111.046 173.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.409 ' HA3' ' HB3' ' A' ' 13' ' ' GLU . . . 114.82 51.35 0.45 Allowed Glycine 0 C--N 1.337 0.603 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.712 -171.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -16.84 -65.8 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -163.56 -66.74 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.955 0.407 . . . . 0.0 111.277 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -149.59 176.37 10.7 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.651 0.78 . . . . 0.0 109.31 -173.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -65.12 -49.58 69.4 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.147 0.579 . . . . 0.0 109.851 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.02 71.36 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.325 0.65 . . . . 0.0 110.999 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.3 m -69.17 -29.74 67.8 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.8 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.64 -48.21 64.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.155 0.582 . . . . 0.0 110.582 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.415 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 mp -58.56 -47.08 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 122.925 0.49 . . . . 0.0 110.669 173.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -55.38 -40.03 70.87 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.565 0.746 . . . . 0.0 111.457 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB3' ' HE3' ' B' ' 26' ' ' MET . . . -62.33 -52.02 65.3 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.935 174.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.406 HD13 HG21 ' B' ' 54' ' ' THR . 61.8 mt -58.76 -28.12 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 122.594 0.358 . . . . 0.0 111.754 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 47.6 mt-10 -66.12 -33.57 76.07 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.459 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 9.3 m -56.83 -39.15 73.7 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.904 0.753 . . . . 0.0 111.693 170.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.9 mm -67.51 -41.47 85.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -176.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.0 mmmm -64.8 -24.9 67.69 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.858 -176.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.525 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 22.0 mmt180 -64.08 -54.26 36.87 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.876 -175.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -173.0 17.43 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -170.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.542 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 20.1 t -65.18 -31.86 73.25 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.62 -0.675 . . . . 0.0 112.802 -175.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -66.19 -19.38 65.81 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 172.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.83 -4.4 34.02 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.217 0.436 . . . . 0.0 113.367 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.92 139.66 56.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.884 0.873 . . . . 0.0 111.083 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -70.61 160.71 32.04 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 122.803 0.441 . . . . 0.0 111.199 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.8 m -117.63 100.12 7.42 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.187 0.595 . . . . 0.0 110.438 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.11 122.54 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.757 1.223 . . . . 0.0 109.78 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.497 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.4 t0 -100.31 112.39 24.73 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.699 0.285 . . . . 0.0 110.965 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' B' ' 5' ' ' GLU . 26.5 mt -81.11 -32.84 33.64 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.998 0.919 . . . . 0.0 111.961 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.594 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 14.6 t -89.01 -3.54 58.69 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 122.718 0.407 . . . . 0.0 111.183 -166.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.9 m -90.02 94.92 9.98 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 58.2 tpp -137.67 160.08 40.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.648 1.179 . . . . 0.0 108.801 -174.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.7 p -58.74 -48.71 80.25 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.399 0.68 . . . . 0.0 111.237 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 174.594 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ttt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -65.19 158.1 27.0 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 121.071 0.462 . . . . 0.0 111.749 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.82 179.51 7.04 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.472 -165.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.48 ' HZ ' HG23 ' B' ' 45' ' ' ILE . 86.2 m-85 -100.21 114.59 28.14 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.671 1.188 . . . . 0.0 109.412 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 57' ' ' LEU . 34.3 mt-10 -94.6 109.24 21.17 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.497 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 34.7 mt -93.81 113.2 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 -175.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.594 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 31.2 p90 -137.11 161.83 35.04 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.411 HE21 ' HA2' ' B' ' 12' ' ' GLY . 9.5 pt20 -104.14 143.9 32.3 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 171.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.565 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 31.1 t70 -77.38 160.38 28.81 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 173.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -34.03 4.73 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.465 1.506 . . . . 0.0 112.647 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.8 9.77 2.16 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.511 1.124 . . . . 0.0 112.705 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.411 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 68.07 29.98 73.73 Favored Glycine 0 C--N 1.347 1.14 0 C-N-CA 124.04 0.828 . . . . 0.0 113.088 -176.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.565 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 67.5 mm-40 -95.05 93.78 7.58 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.72 0.408 . . . . 0.0 110.143 -175.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -58.81 120.07 8.33 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.754 0.788 . . . . 0.0 112.002 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -135.11 171.44 14.43 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.254 1.821 . . . . 0.0 109.932 -167.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -143.38 141.35 30.87 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 114.518 -1.219 . . . . 0.0 107.715 165.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -117.65 149.54 40.53 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.651 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 12.3 t80 -110.61 130.37 55.58 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -99.36 -178.19 3.83 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.523 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.1 162.17 32.84 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.217 1.007 . . . . 0.0 108.871 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 46.3 m -55.05 -29.38 57.37 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -84.69 -15.1 46.44 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.177 0.591 . . . . 0.0 111.811 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.67 50.14 3.42 Favored Glycine 0 C--N 1.341 0.861 0 C-N-CA 123.126 0.393 . . . . 0.0 112.378 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -126.13 129.72 49.62 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 27.0 m -85.54 128.04 34.63 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.449 0.699 . . . . 0.0 109.698 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.651 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.5 ppp? -104.54 -16.54 15.01 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.688 -174.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.438 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 10.7 p90 -157.43 164.54 37.36 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 121.863 0.839 . . . . 0.0 110.953 162.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -136.47 146.45 46.32 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 112.966 -1.925 . . . . 0.0 106.972 165.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -77.38 161.28 28.14 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.88 -33.41 75.24 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 173.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.56 63.42 0.34 Allowed Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.9 -169.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -47.36 -53.79 12.89 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.884 1.274 . . . . 0.0 112.525 -159.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -163.61 -67.31 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.833 0.349 . . . . 0.0 111.377 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.63 176.93 9.93 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.649 0.78 . . . . 0.0 109.292 -174.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -64.55 -49.83 69.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.392 0.677 . . . . 0.0 109.786 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.22 -41.93 72.69 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.42 0.688 . . . . 0.0 110.684 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 13.4 m -69.48 -29.27 66.89 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.786 0.834 . . . . 0.0 111.458 178.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -48.23 61.51 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.238 0.615 . . . . 0.0 110.438 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 mp -58.07 -46.79 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.124 0.57 . . . . 0.0 110.822 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -57.05 -38.97 73.97 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.438 0.695 . . . . 0.0 111.235 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.514 ' HB2' ' HE1' ' A' ' 26' ' ' MET . . . -62.58 -51.92 65.44 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.79 174.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.94 -28.36 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 122.65 0.38 . . . . 0.0 111.602 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 43.7 mt-10 -66.12 -33.2 75.25 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.319 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 18.6 m -57.25 -38.84 74.43 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.821 0.701 . . . . 0.0 111.612 170.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.532 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.0 mm -67.69 -41.21 85.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -176.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.9 mmmm -65.84 -24.39 66.88 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.772 -176.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 28.1 mmt85 -63.4 -55.19 26.37 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.126 -176.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -172.05 17.51 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -170.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.532 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 18.2 t -65.18 -31.6 72.86 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.504 -0.747 . . . . 0.0 112.675 -175.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -66.16 -19.58 65.88 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.8 -4.57 34.04 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-O 119.853 -0.415 . . . . 0.0 113.637 172.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 139.08 57.05 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.809 0.844 . . . . 0.0 111.218 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -69.8 160.86 30.96 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 122.636 0.374 . . . . 0.0 111.529 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.406 HG21 HD13 ' A' ' 42' ' ' ILE . 32.4 m -117.85 100.36 7.53 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.209 0.604 . . . . 0.0 110.12 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 80.1 t -101.66 122.55 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.644 1.178 . . . . 0.0 109.756 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.54 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 10.2 t70 -100.44 112.4 24.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.566 0.346 . . . . 0.0 110.79 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.425 ' HB3' ' HB1' ' B' ' 62' ' ' ALA . 5.8 mp -82.59 -35.32 27.18 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.407 1.083 . . . . 0.0 112.078 177.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.696 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.1 t -77.53 -13.33 59.94 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -161.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 66.1 p -114.28 -0.73 13.78 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 118.154 0.433 . . . . 0.0 110.821 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 91.9 mtp -105.2 -79.83 0.55 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 173.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 6.7 m -153.66 140.24 18.85 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' B' ' 57' ' ' LEU . . . . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 124.956 1.302 . . . . 0.0 107.523 -177.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttm . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.34 157.39 19.92 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.445 0.64 . . . . 0.0 111.887 171.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.411 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -159.9 177.01 11.23 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.951 -167.725 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 97.5 m-85 -103.54 114.36 28.57 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.2 1.0 . . . . 0.0 109.893 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -95.45 110.11 22.2 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -98.29 130.56 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.593 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 44.9 p90 -144.87 178.48 7.99 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.967 0.507 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -121.07 146.84 46.31 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 167.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.57 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.1 t70 -101.41 -176.35 3.12 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -42.32 -37.69 1.6 Allowed 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 126.789 2.036 . . . . 0.0 114.569 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.631 ' HB1' ' HG3' ' A' ' 13' ' ' GLU . . . -98.68 18.93 15.68 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.93 0.892 . . . . 0.0 110.744 -174.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.27 30.57 76.98 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.728 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.631 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 37.3 mt-10 -80.86 91.71 6.01 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.996 0.518 . . . . 0.0 109.985 -172.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -55.08 106.9 0.25 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 122.779 1.276 . . . . 0.0 112.166 172.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.57 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 77.0 mtt180 -127.09 174.76 8.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 111.87 -2.423 . . . . 0.0 108.548 -175.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -163.18 166.53 23.23 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.093 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 9.2 ptp180 -144.0 171.2 14.59 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.334 1.021 . . . . 0.0 111.344 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -126.6 135.25 50.98 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -98.16 -178.27 4.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.725 -175.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' HB1' ' HG3' ' A' ' 24' ' ' GLU . . . -135.05 162.03 33.63 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.376 174.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.7 m -47.67 -30.48 3.8 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.977 1.311 . . . . 0.0 114.454 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -85.41 3.68 38.92 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.608 0.763 . . . . 0.0 112.456 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.17 30.07 67.89 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 122.819 0.247 . . . . 0.0 112.775 -172.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HG3' ' HB1' ' A' ' 20' ' ' ALA . 10.2 pt-20 -106.22 143.43 34.35 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.739 0.815 . . . . 0.0 109.106 177.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 m -98.92 140.93 32.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.188 0.595 . . . . 0.0 109.716 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.476 ' HE2' ' O ' ' B' ' 41' ' ' ALA . 2.0 ppp? -113.83 -22.29 10.24 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.976 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.443 ' CD1' ' SD ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -158.89 163.92 36.15 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 162.246 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 t -168.69 173.55 7.21 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 125.186 1.554 . . . . 0.0 110.224 -173.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m 60.0 62.27 1.69 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 162.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.71 -57.45 3.85 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 163.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.66 56.5 3.11 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -169.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -72.2 -60.65 2.13 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.292 0.637 . . . . 0.0 110.074 -165.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -170.09 -72.96 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.08 0.552 . . . . 0.0 111.1 175.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.6 173.09 12.03 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.874 0.87 . . . . 0.0 109.052 -172.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -64.51 -47.17 79.87 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.919 0.487 . . . . 0.0 110.411 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.74 87.65 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.685 0.394 . . . . 0.0 110.38 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 m -67.68 -31.0 70.67 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.936 0.894 . . . . 0.0 110.165 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.44 -49.54 63.24 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.09 0.956 . . . . 0.0 110.294 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.2 -45.68 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.346 0.658 . . . . 0.0 111.099 175.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -60.27 -40.2 89.52 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.295 0.569 . . . . 0.0 111.025 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.484 ' O ' ' HE2' ' B' ' 26' ' ' MET . . . -57.13 -54.24 49.01 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.736 172.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.63 -27.76 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.891 0.876 . . . . 0.0 112.119 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 46' ' ' LYS . 45.6 mt-10 -62.59 -30.58 71.44 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.608 0.363 . . . . 0.0 110.936 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.51 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 7.9 m -55.07 -39.39 69.22 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 168.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.564 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 5.8 mm -68.82 -46.48 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -174.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.493 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 8.1 mmmm -58.79 -26.55 64.18 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 114.504 -1.226 . . . . 0.0 112.591 -174.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.51 ' HE ' ' HA ' ' A' ' 44' ' ' SER . 70.8 mtm180 -61.28 -58.61 7.58 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.348 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -174.09 18.04 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -166.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.564 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.9 t -65.15 -33.58 76.35 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 121.461 -0.774 . . . . 0.0 112.024 -176.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -58.82 -34.16 71.2 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.819 170.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.05 -1.14 61.44 Favored Glycine 0 CA--C 1.538 1.507 0 CA-C-O 119.629 -0.539 . . . . 0.0 114.359 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.39 163.91 19.75 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.512 0.725 . . . . 0.0 111.533 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -88.87 158.21 18.17 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.4 m -120.06 105.13 10.72 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.144 0.578 . . . . 0.0 110.286 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 t -110.22 125.93 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 124.957 1.303 . . . . 0.0 110.067 -174.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -103.78 125.14 50.03 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.653 0.781 . . . . 0.0 110.801 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.1 mt -100.7 -23.05 14.72 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 125.118 1.367 . . . . 0.0 113.299 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.562 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 3.4 t -80.84 -26.95 36.66 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -165.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.422 HG21 ' HE2' ' B' ' 35' ' ' LYS . 45.6 p -78.73 -28.16 44.94 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -175.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 tpt -79.89 -37.7 34.18 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.651 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.7 p -68.18 109.47 3.58 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.967 0.413 . . . . 0.0 111.01 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.018 0 C-N-CA 124.05 0.94 . . . . 0.0 108.888 -174.805 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.8 ttm . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.85 164.79 22.94 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.185 0.594 . . . . 0.0 111.638 171.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.39 178.31 7.56 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.696 -168.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' B' ' 17' ' ' ARG . 98.6 m-85 -102.82 114.56 28.92 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.48 1.112 . . . . 0.0 109.829 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -96.9 110.35 22.88 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.5 mt -98.61 129.87 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.757 0.823 . . . . 0.0 109.026 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.562 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 37.2 p90 -144.33 178.41 7.94 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 122.956 0.502 . . . . 0.0 110.156 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -121.04 146.53 46.62 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 166.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.594 ' HB2' ' HD2' ' B' ' 15' ' ' ARG . 5.9 t70 -101.09 -177.02 3.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 119.102 -0.475 . . . . 0.0 109.802 -173.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -41.8 -38.17 1.43 Allowed 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 127.069 2.148 . . . . 0.0 114.675 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.63 ' HB2' ' HG3' ' B' ' 13' ' ' GLU . . . -97.71 18.99 14.38 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.848 0.859 . . . . 0.0 111.037 -175.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.84 30.82 77.98 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.96 -169.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.63 ' HG3' ' HB2' ' B' ' 11' ' ' ALA . 37.8 mt-10 -81.15 92.49 6.29 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.804 0.442 . . . . 0.0 110.07 -172.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -55.68 107.04 0.3 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.656 1.217 . . . . 0.0 111.997 172.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.594 ' HD2' ' HB2' ' B' ' 9' ' ' ASP . 85.1 mtt180 -127.11 175.32 8.21 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 111.609 -2.542 . . . . 0.0 109.231 -175.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -164.36 166.73 20.46 Favored 'General case' 0 C--O 1.247 0.923 0 C-N-CA 124.543 1.137 . . . . 0.0 109.299 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 13.7 ptt180 -144.38 170.27 16.33 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.4 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -125.9 134.95 51.42 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 171.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -98.5 -178.55 4.05 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.663 -175.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.44 160.7 37.19 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.52 1.128 . . . . 0.0 108.369 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.0 m -46.55 -31.13 2.59 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -85.46 4.95 33.28 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.507 0.723 . . . . 0.0 112.863 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.01 30.09 70.24 Favored Glycine 0 C--N 1.347 1.14 0 C-N-CA 123.22 0.438 . . . . 0.0 112.674 -173.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -105.0 144.27 32.04 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.778 0.831 . . . . 0.0 108.944 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -100.41 140.85 34.07 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.484 ' HE2' ' O ' ' A' ' 41' ' ' ALA . 1.9 ppp? -114.25 -22.37 9.98 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.978 -176.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.415 ' CD1' ' SD ' ' B' ' 26' ' ' MET . 0.0 OUTLIER -158.96 164.32 35.7 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 161.214 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.2 t -168.29 174.1 7.3 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.361 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.0 m 59.48 61.59 1.97 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 162.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -57.19 4.05 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.073 161.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.08 56.94 3.12 Favored Glycine 0 C--N 1.352 1.419 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -168.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -72.5 -60.29 2.31 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 122.791 0.437 . . . . 0.0 110.311 -165.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -169.88 -72.96 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.643 0.589 . . . . 0.0 111.241 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.5 173.84 11.23 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.946 0.898 . . . . 0.0 109.279 -172.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.477 ' H ' ' HD2' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -66.23 -45.01 82.15 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.331 0.514 . . . . 0.0 110.384 -179.453 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.441 ' N ' ' HG2' ' B' ' 35' ' ' LYS . . . -60.88 -41.97 97.04 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.742 0.417 . . . . 0.0 110.316 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.9 m -66.11 -30.74 71.3 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.852 177.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.6 -49.91 60.81 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 124.059 0.943 . . . . 0.0 110.582 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mp -56.66 -46.88 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.15 0.58 . . . . 0.0 110.996 174.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 63.9 m-70 -60.62 -39.2 87.34 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.977 0.511 . . . . 0.0 111.518 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.476 ' O ' ' HE2' ' A' ' 26' ' ' MET . . . -57.8 -53.74 54.81 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.832 171.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.497 HG22 ' HD3' ' B' ' 46' ' ' LYS . 71.6 mt -57.51 -27.96 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.876 0.87 . . . . 0.0 111.916 176.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 54.3 mm-40 -61.93 -31.6 71.93 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.913 0.485 . . . . 0.0 110.579 177.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 6.1 m -55.35 -39.22 69.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 123.449 0.468 . . . . 0.0 112.199 169.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.558 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.6 mm -68.53 -46.21 80.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 123.617 0.573 . . . . 0.0 109.497 -175.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.497 ' HD3' HG22 ' B' ' 42' ' ' ILE . 7.2 mmmm -59.12 -26.26 64.55 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.207 -174.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 35.2 mmt-85 -62.49 -57.02 12.71 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 114.478 -1.237 . . . . 0.0 112.135 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -175.32 17.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -165.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.558 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 27.9 t -65.35 -33.47 76.05 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.437 -0.789 . . . . 0.0 111.947 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -59.4 -32.99 70.67 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.85 171.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.05 -0.9 59.82 Favored Glycine 0 CA--C 1.536 1.38 0 CA-C-O 119.727 -0.485 . . . . 0.0 114.108 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.15 162.96 21.27 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.708 0.803 . . . . 0.0 111.58 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 18.7 t70 -87.39 157.36 19.26 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.886 0.474 . . . . 0.0 110.203 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.3 m -119.44 104.49 10.38 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.351 0.66 . . . . 0.0 109.834 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 7.5 p -110.01 126.46 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 124.672 1.189 . . . . 0.0 110.903 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -103.75 125.55 50.29 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.346 0.658 . . . . 0.0 111.531 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -101.16 -20.73 15.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.85 1.26 . . . . 0.0 112.46 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.593 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.6 t -84.59 -8.55 58.86 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -169.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 50.6 p -115.1 9.52 15.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.689 -0.632 . . . . 0.0 109.464 172.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 44.7 ttp -139.24 93.14 2.65 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 32.0 p -50.03 109.35 0.28 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.165 0.986 . . . . 0.0 113.021 -164.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 C-N-CA 124.603 1.161 . . . . 0.0 108.38 -175.147 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.1 ttp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.43 163.28 27.06 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.316 0.579 . . . . 0.0 111.939 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.75 -179.63 5.98 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.788 -168.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.432 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 92.6 m-85 -100.91 121.33 41.55 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.339 1.056 . . . . 0.0 109.356 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -99.68 109.9 22.34 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.55 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 32.9 mt -96.23 119.45 44.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -176.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.66 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 50.2 p90 -141.25 169.38 17.71 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.453 HE21 ' HA2' ' A' ' 12' ' ' GLY . 12.9 pt20 -112.43 147.74 35.82 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 170.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.637 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 16.6 t70 -76.24 160.25 29.86 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 171.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -33.76 38.28 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.995 0.918 . . . . 0.0 112.013 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.71 7.84 1.36 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.826 1.25 . . . . 0.0 112.55 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 69.57 29.06 71.62 Favored Glycine 0 C--N 1.343 0.959 0 C-N-CA 124.328 0.966 . . . . 0.0 113.017 -176.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.637 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 28.4 mm-40 -92.5 88.06 6.21 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -174.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -58.34 129.57 42.64 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.422 0.629 . . . . 0.0 111.738 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 91.8 mtt180 -152.88 178.22 9.9 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.23 1.812 . . . . 0.0 109.8 -169.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -151.1 156.09 40.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.902 -1.045 . . . . 0.0 108.951 173.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -129.32 158.9 37.8 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 174.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.521 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 13.9 t80 -115.18 132.36 56.63 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 177.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -98.45 -179.37 4.32 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.469 -171.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.555 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -135.22 157.94 45.63 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 125.173 1.389 . . . . 0.0 107.627 174.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 m -36.51 -42.43 0.34 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -174.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -89.86 17.14 7.01 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.61 19.25 79.35 Favored Glycine 0 N--CA 1.47 0.925 0 N-CA-C 112.8 -0.12 . . . . 0.0 112.8 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.555 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 20.5 mt-10 -81.3 155.59 25.96 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.873 0.869 . . . . 0.0 108.762 177.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.5 m -117.29 138.76 51.54 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.521 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.6 ppp? -114.13 -18.69 11.6 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.456 0.703 . . . . 0.0 112.028 -176.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.471 ' HD2' ' HE2' ' A' ' 26' ' ' MET . 10.9 p90 -154.35 160.9 41.95 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.345 0.593 . . . . 0.0 111.309 162.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -124.93 132.79 53.24 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 113.706 -1.588 . . . . 0.0 107.313 169.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -94.6 167.17 11.64 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.696 0.76 . . . . 0.0 111.712 -169.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -74.3 -20.72 60.03 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.468 169.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 15' ' ' ARG . . . 81.37 -9.29 55.46 Favored Glycine 0 C--N 1.358 1.751 0 N-CA-C 115.661 1.024 . . . . 0.0 115.661 174.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 62.6 t80 82.08 -62.13 0.16 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.374 1.47 . . . . 0.0 109.71 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -163.49 -70.04 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.941 0.496 . . . . 0.0 111.051 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -124.15 177.28 5.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.793 0.837 . . . . 0.0 109.093 -169.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' H ' ' HD3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -70.14 -42.82 72.06 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.721 0.691 . . . . 0.0 110.664 -179.449 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.99 -42.81 90.9 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.1 0.476 . . . . 0.0 110.366 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.435 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 12.2 m -67.67 -29.37 68.63 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.269 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.63 -44.81 66.42 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 123.63 0.772 . . . . 0.0 110.565 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 mp -57.08 -45.54 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 122.995 0.518 . . . . 0.0 110.478 171.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -59.66 -38.45 81.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.298 0.639 . . . . 0.0 110.903 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.425 ' HB2' ' HE2' ' B' ' 26' ' ' MET . . . -61.38 -53.94 50.12 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.414 172.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.43 ' HA ' HG12 ' A' ' 45' ' ' ILE . 71.1 mt -59.14 -25.69 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 122.978 0.511 . . . . 0.0 111.525 178.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.545 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 43.7 mt-10 -65.15 -38.04 89.32 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.505 ' HB2' ' HE1' ' B' ' 26' ' ' MET . 58.0 m -53.9 -38.67 65.05 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.037 0.836 . . . . 0.0 111.711 172.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.596 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.4 mm -68.18 -43.54 84.86 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 O-C-N 123.841 0.713 . . . . 0.0 109.214 -175.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.535 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.3 mmmm -62.37 -27.47 69.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.898 -1.046 . . . . 0.0 113.069 -175.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 43' ' ' GLU . 62.2 mtt85 -71.95 -52.35 17.59 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.532 -173.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.401 ' ND2' ' SD ' ' B' ' 1' ' ' MET . 64.5 t30 -166.98 17.06 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -170.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.596 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 18.7 t -67.19 -33.23 74.96 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 121.528 -0.733 . . . . 0.0 112.262 -178.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.558 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -64.92 -24.16 67.44 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 122.771 0.428 . . . . 0.0 111.596 172.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.97 -4.43 48.16 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 113.54 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.11 170.52 3.58 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.85 0.86 . . . . 0.0 111.331 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -99.5 157.86 16.14 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -113.09 109.38 18.72 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.606 0.762 . . . . 0.0 109.342 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.2 121.85 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.248 1.419 . . . . 0.0 109.058 -172.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.521 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.6 p-10 -103.03 110.06 21.84 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.294 0.569 . . . . 0.0 111.065 175.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.0 mt -78.08 -26.87 48.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.092 0.957 . . . . 0.0 112.457 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.68 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 5.4 t -71.96 -11.67 60.88 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -165.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.6 p -93.25 -16.99 24.17 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 122.831 0.452 . . . . 0.0 110.302 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.422 ' HG2' HG22 ' A' ' 61' ' ' THR . 45.3 ttp -98.03 -59.32 1.78 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.884 0.874 . . . . 0.0 108.951 176.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.422 HG22 ' HG2' ' A' ' 60' ' ' MET . 31.0 p -141.57 127.01 18.78 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.51 1.124 . . . . 0.0 109.529 -177.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 175.645 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.401 ' SD ' ' ND2' ' A' ' 48' ' ' ASN . 47.5 ttm . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.43 161.95 29.57 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.501 0.667 . . . . 0.0 111.482 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.23 -179.02 4.84 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.859 -166.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.427 ' HZ ' HG22 ' B' ' 45' ' ' ILE . 97.3 m-85 -100.69 121.12 41.12 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.333 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -99.5 109.72 22.24 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.521 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 29.5 mt -96.1 119.57 44.34 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -176.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.68 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 14.9 p90 -141.58 169.12 18.19 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.447 HE21 ' HA2' ' B' ' 12' ' ' GLY . 11.3 pt20 -111.76 148.39 33.61 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 170.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.491 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 22.5 t70 -76.81 160.65 29.1 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 171.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -33.54 40.86 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.026 0.93 . . . . 0.0 111.924 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.432 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . . . -72.62 8.59 1.38 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 124.726 1.21 . . . . 0.0 112.668 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.447 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 69.52 29.32 71.58 Favored Glycine 0 C--N 1.346 1.11 0 C-N-CA 124.297 0.951 . . . . 0.0 112.884 -176.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.491 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 11.8 mm-40 -93.03 87.82 5.89 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -174.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' B' ' 35' ' ' LYS . 68.2 m-85 -58.05 131.59 50.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.651 0.739 . . . . 0.0 112.088 177.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.446 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 14.4 ptp180 -156.04 176.84 12.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 113.584 -1.644 . . . . 0.0 110.13 -168.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -150.07 156.36 41.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.965 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -128.85 159.48 35.63 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.49 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 14.4 t80 -116.04 132.58 56.61 Favored 'General case' 0 C--O 1.243 0.745 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -98.53 -179.73 4.42 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.453 -171.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.572 ' HB2' ' HB2' ' B' ' 24' ' ' GLU . . . -135.18 157.75 46.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.133 1.373 . . . . 0.0 107.784 174.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 56.3 p -35.66 -42.73 0.25 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -175.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.79 16.09 8.64 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.432 0.693 . . . . 0.0 112.668 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.91 18.81 79.34 Favored Glycine 0 C--N 1.344 1.019 0 N-CA-C 112.7 -0.16 . . . . 0.0 112.7 -175.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.572 ' HB2' ' HB2' ' B' ' 20' ' ' ALA . 12.6 mm-40 -80.02 156.02 27.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.892 0.877 . . . . 0.0 109.023 176.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 63.4 m -118.06 138.41 52.25 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.505 ' HE1' ' HB2' ' A' ' 44' ' ' SER . 1.4 ppp? -113.89 -17.87 11.92 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.363 0.665 . . . . 0.0 111.975 -176.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -156.82 160.56 39.32 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.473 0.654 . . . . 0.0 111.682 162.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.9 m -124.03 132.79 53.73 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 113.484 -1.689 . . . . 0.0 106.947 171.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -93.37 166.99 12.01 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.784 0.802 . . . . 0.0 111.719 -169.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -75.21 -20.52 59.23 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 113.826 -1.534 . . . . 0.0 109.332 168.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' B' ' 15' ' ' ARG . . . 81.9 -9.4 56.74 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 115.38 0.912 . . . . 0.0 115.38 173.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 63.2 t80 82.11 -62.51 0.16 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.447 1.499 . . . . 0.0 109.469 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -163.44 -69.8 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.03 0.532 . . . . 0.0 111.178 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.419 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -124.13 177.34 5.87 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.913 0.885 . . . . 0.0 109.057 -169.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' B' ' 36' ' ' ALA . 2.7 pptp? -70.14 -42.46 72.51 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 118.981 0.81 . . . . 0.0 110.763 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.443 ' N ' ' HD2' ' B' ' 35' ' ' LYS . . . -59.06 -43.13 91.68 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.904 0.481 . . . . 0.0 110.213 175.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.419 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 5.3 m -67.4 -29.77 69.36 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.11 176.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.75 -44.64 66.36 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.421 0.688 . . . . 0.0 110.572 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -56.92 -46.14 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.0 0.52 . . . . 0.0 110.414 171.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -58.46 -39.16 79.12 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.282 0.633 . . . . 0.0 111.218 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.486 ' HB1' ' HE1' ' A' ' 26' ' ' MET . . . -60.98 -54.06 49.54 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.486 172.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.485 HG22 ' HD3' ' B' ' 46' ' ' LYS . 74.2 mt -59.08 -26.11 32.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 123.023 0.529 . . . . 0.0 111.367 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 41.3 mt-10 -64.36 -38.55 91.44 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.456 ' HB2' ' HE3' ' A' ' 26' ' ' MET . 37.9 m -53.81 -38.51 64.64 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 124.135 0.897 . . . . 0.0 111.531 173.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.588 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.5 mm -68.27 -43.39 84.62 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 123.901 0.75 . . . . 0.0 109.357 -175.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.3 mmmm -63.59 -26.08 68.53 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.547 -174.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 14.2 mmt180 -72.99 -51.74 17.12 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.143 -0.935 . . . . 0.0 112.289 -173.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -167.11 16.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -170.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.588 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 20.4 t -67.13 -33.53 75.65 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.228 -0.92 . . . . 0.0 112.208 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.93 -23.9 67.36 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.679 0.392 . . . . 0.0 111.673 172.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.69 -4.46 48.99 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.674 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.87 170.7 3.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.853 0.861 . . . . 0.0 111.395 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.47 158.03 16.21 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.4 m -113.12 109.33 18.62 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.336 0.654 . . . . 0.0 109.369 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 52.2 t -118.09 122.26 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.913 1.285 . . . . 0.0 108.976 -173.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.55 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 9.3 p-10 -102.94 110.37 22.26 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.37 0.605 . . . . 0.0 111.024 175.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.81 -22.71 49.62 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.615 1.166 . . . . 0.0 111.717 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.66 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.0 t -93.56 10.9 30.67 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.974 -171.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m -30.37 -52.39 0.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.334 1.854 . . . . 0.0 114.486 -173.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 23.3 mmt -75.72 78.78 2.67 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 168.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 60.9 p -76.8 126.98 31.89 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.486 -170.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.391 177.178 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.8 ttm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.14 164.41 25.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 121.213 0.53 . . . . 0.0 111.344 173.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.563 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -164.34 177.63 8.11 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.24 -165.177 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -100.84 112.02 24.35 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.776 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HB2' ' HG2' ' A' ' 17' ' ' ARG . 67.1 mt-10 -93.06 105.6 17.68 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 mt -99.41 120.04 48.24 Favored 'Isoleucine or valine' 0 C--N 1.345 0.37 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -175.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.0 p90 -141.1 -177.97 5.36 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -122.85 150.28 43.08 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -89.32 165.08 14.62 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 124.633 1.173 . . . . 0.0 109.299 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -45.11 -37.01 3.98 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 126.049 1.74 . . . . 0.0 112.511 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.98 10.66 2.17 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.912 0.885 . . . . 0.0 112.303 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.34 33.44 87.24 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 124.645 1.117 . . . . 0.0 112.668 -176.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -108.03 119.21 38.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.551 0.34 . . . . 0.0 110.502 -172.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.74 124.72 29.28 Favored 'General case' 0 C--N 1.345 0.377 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 42.4 mtt180 -139.92 137.59 34.92 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.798 1.239 . . . . 0.0 108.247 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.412 ' CD1' ' HA2' ' A' ' 31' ' ' GLY . 49.7 p90 -108.76 166.31 10.9 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 121.546 0.688 . . . . 0.0 109.256 170.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HD2' ' HE1' ' A' ' 7' ' ' TYR . 3.1 ptm180 -139.17 162.18 35.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.009 174.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.508 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 20.0 t80 -119.11 133.5 55.75 Favored 'General case' 0 C--O 1.245 0.863 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 173.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -102.19 -179.02 3.87 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.006 -171.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.23 172.67 10.81 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 125.611 1.564 . . . . 0.0 107.426 174.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.2 p -69.41 -32.68 71.83 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 118.981 0.81 . . . . 0.0 111.313 -161.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -92.45 16.92 10.8 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.582 0.753 . . . . 0.0 111.592 -178.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.43 19.92 63.26 Favored Glycine 0 C--N 1.346 1.12 0 N-CA-C 114.515 0.566 . . . . 0.0 114.515 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -83.62 154.18 23.88 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.033 0.533 . . . . 0.0 109.608 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 m -115.42 151.14 35.26 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.525 ' HE3' ' HB1' ' B' ' 41' ' ' ALA . 2.2 ppp? -127.02 -32.66 2.51 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.468 0.707 . . . . 0.0 112.222 -175.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.534 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 1.3 p90 -144.16 158.72 43.56 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.915 0.325 . . . . 0.0 110.166 168.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 t -163.33 -176.92 5.02 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 m 92.37 -23.02 0.07 Allowed 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 148.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.508 ' HG3' ' H ' ' B' ' 28' ' ' SER . 30.0 mm-40 -76.97 -88.21 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.05 0.841 . . . . 0.0 111.862 176.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 15' ' ' ARG . . . 82.29 0.69 90.01 Favored Glycine 0 N--CA 1.476 1.345 0 CA-C-O 119.864 -0.409 . . . . 0.0 113.619 -171.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 t80 73.16 -65.22 0.37 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.914 1.685 . . . . 0.0 111.901 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -152.95 -56.06 0.12 Allowed 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 120.925 0.393 . . . . 0.0 110.751 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.455 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -141.11 -174.14 3.92 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.241 1.017 . . . . 0.0 108.747 -175.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -62.71 -46.19 89.25 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 118.644 0.656 . . . . 0.0 110.571 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.02 -47.64 68.17 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.22 0.608 . . . . 0.0 111.041 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.455 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.8 m -71.23 -27.17 63.28 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.397 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.95 -55.0 21.73 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 123.711 0.804 . . . . 0.0 110.236 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.406 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.3 mp -55.86 -47.83 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 123.349 0.66 . . . . 0.0 111.234 175.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -55.72 -44.21 77.27 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.876 0.47 . . . . 0.0 111.317 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB2' ' HE1' ' B' ' 26' ' ' MET . . . -57.36 -54.67 44.22 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.096 173.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.4 mt -56.18 -30.0 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.171 0.589 . . . . 0.0 111.904 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 44.2 mt-10 -64.27 -33.07 74.97 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.701 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.9 m -53.57 -41.18 66.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 123.573 0.546 . . . . 0.0 111.473 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.577 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.2 mm -69.1 -45.68 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.212 -174.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 8.6 mmmm -61.88 -24.59 67.03 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.027 -176.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 37.3 mmt180 -65.37 -57.96 7.07 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 123.764 0.665 . . . . 0.0 111.67 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -167.74 16.17 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -166.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.577 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.6 t -67.73 -32.77 73.62 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.262 -0.899 . . . . 0.0 112.927 -172.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.525 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.61 -30.41 71.33 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 122.577 0.351 . . . . 0.0 111.707 172.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.08 -0.05 57.31 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 115.867 -0.606 . . . . 0.0 113.774 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.04 167.71 7.52 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.572 0.749 . . . . 0.0 111.548 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.598 ' HB3' ' HB3' ' B' ' 3' ' ' LYS . 32.9 t70 -88.83 156.59 18.85 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.6 m -125.28 116.41 21.91 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.19 136.58 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.135 0.974 . . . . 0.0 110.981 -171.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -100.28 114.26 27.59 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.967 0.907 . . . . 0.0 109.748 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -79.27 -18.28 53.04 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.518 1.127 . . . . 0.0 110.926 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.57 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 7.3 t -89.56 11.53 19.31 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.876 0.87 . . . . 0.0 111.629 -174.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 p -76.01 -48.3 21.56 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 170.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.0 ttt -96.02 88.66 4.94 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 160.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 p -55.42 116.5 2.89 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.336 0.654 . . . . 0.0 111.74 -173.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 C-N-CA 124.205 1.002 . . . . 0.0 109.188 -178.862 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 45.2 ttm . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.59 161.01 24.09 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.218 0.532 . . . . 0.0 111.366 174.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.598 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -160.55 176.76 11.23 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.075 -165.24 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -100.8 111.82 24.12 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.834 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -93.11 105.84 17.88 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mt -99.92 119.89 48.6 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.57 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 24.7 p90 -140.98 -178.86 5.76 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -121.33 149.82 42.37 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 168.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.42 ' HB2' ' HD3' ' B' ' 15' ' ' ARG . 32.8 t70 -89.3 165.7 14.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.515 1.126 . . . . 0.0 109.463 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -45.88 -36.37 5.29 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.992 1.717 . . . . 0.0 112.603 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.42 10.55 2.48 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.973 0.909 . . . . 0.0 112.079 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.56 33.2 86.59 Favored Glycine 0 C--N 1.347 1.169 0 C-N-CA 124.401 1.001 . . . . 0.0 113.004 -175.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.4 ' O ' ' HD2' ' B' ' 15' ' ' ARG . 47.3 mt-10 -108.24 109.26 20.58 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 122.463 0.305 . . . . 0.0 110.637 -172.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -64.83 124.42 21.94 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.368 0.604 . . . . 0.0 112.532 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.487 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 0.0 OUTLIER -141.94 139.36 32.47 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 113.828 -1.533 . . . . 0.0 109.711 177.649 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -108.75 166.44 10.8 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-O 121.767 0.794 . . . . 0.0 109.583 171.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -139.6 162.34 35.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.605 -1.634 . . . . 0.0 109.489 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.516 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.9 t80 -119.16 133.09 55.98 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 173.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -101.96 -178.86 3.83 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.117 -171.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.14 161.5 29.92 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.685 1.594 . . . . 0.0 107.547 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 75.3 p -49.72 -38.3 32.85 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -94.34 17.27 13.18 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 122.8 0.44 . . . . 0.0 110.801 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.56 19.54 61.78 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 114.528 0.571 . . . . 0.0 114.528 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -83.9 154.42 23.43 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -114.81 151.26 34.14 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.525 ' HE1' ' HB2' ' A' ' 41' ' ' ALA . 2.2 ppp? -127.41 -32.7 2.41 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.595 0.758 . . . . 0.0 112.258 -176.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.452 ' HD2' ' HE2' ' B' ' 26' ' ' MET . 1.9 p90 -144.36 158.83 43.54 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 118.06 0.391 . . . . 0.0 110.163 168.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.508 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 33.2 m -162.82 -177.4 5.5 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.824 1.25 . . . . 0.0 111.16 -174.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 43.5 t 93.41 -23.87 0.05 Allowed 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 147.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -77.49 -87.89 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 118.687 0.676 . . . . 0.0 111.358 178.02 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.487 ' HA3' ' HA ' ' B' ' 15' ' ' ARG . . . 80.95 2.02 90.14 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-O 120.004 -0.331 . . . . 0.0 113.534 -171.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 t80 72.48 -64.71 0.38 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 126.083 1.753 . . . . 0.0 112.067 174.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -153.47 -56.54 0.12 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.008 0.523 . . . . 0.0 110.624 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.429 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -140.98 -174.17 3.92 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.203 1.001 . . . . 0.0 108.801 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.445 ' HZ2' HD11 ' B' ' 39' ' ' ILE . 4.4 tptt -61.96 -46.7 88.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.662 0.785 . . . . 0.0 110.245 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.16 -47.35 68.86 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.465 0.706 . . . . 0.0 110.968 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.429 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 5.8 m -72.68 -26.8 61.76 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.084 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -54.75 24.51 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 123.536 0.734 . . . . 0.0 109.957 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.445 HD11 ' HZ2' ' B' ' 35' ' ' LYS . 1.8 mp -55.76 -47.85 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.555 0.742 . . . . 0.0 111.194 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -56.16 -43.44 78.32 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 123.57 0.544 . . . . 0.0 111.152 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.525 ' HB1' ' HE3' ' A' ' 26' ' ' MET . . . -58.16 -54.56 45.56 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.034 174.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 65.4 mt -55.78 -30.59 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 123.342 0.657 . . . . 0.0 111.737 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 42.6 mt-10 -63.45 -33.76 76.28 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 119.073 -0.489 . . . . 0.0 110.471 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 37.9 m -53.39 -41.27 65.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 123.739 0.649 . . . . 0.0 111.509 170.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.558 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.0 mm -69.24 -45.51 79.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.191 -174.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.7 mmmm -63.05 -23.26 67.37 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.694 -176.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 22.8 mmm180 -66.67 -57.76 6.52 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.5 0.5 . . . . 0.0 111.545 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -166.94 16.51 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -166.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.558 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 20.2 t -67.31 -33.1 74.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.527 -0.733 . . . . 0.0 112.821 -172.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.47 -30.86 71.56 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.576 0.35 . . . . 0.0 111.593 172.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.0 0.56 57.53 Favored Glycine 0 C--N 1.351 1.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 113.826 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.29 167.59 8.18 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.575 0.75 . . . . 0.0 111.555 176.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.563 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 26.0 t70 -88.83 156.61 18.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.097 0.559 . . . . 0.0 109.637 175.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 47.2 m -125.3 116.55 22.11 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.7 p -130.98 137.73 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.106 0.962 . . . . 0.0 110.93 -171.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.3 116.04 31.82 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.393 0.677 . . . . 0.0 109.978 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.61 -24.35 36.47 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.418 1.087 . . . . 0.0 112.362 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.497 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.5 t -88.22 16.73 5.84 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 120.011 1.278 . . . . 0.0 111.187 -170.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 36.6 p -123.63 19.29 9.53 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.481 1.112 . . . . 0.0 109.296 172.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 49.3 ttp -150.68 -61.28 0.19 Allowed 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 46.6 p -96.55 118.14 32.42 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.805 0.842 . . . . 0.0 109.809 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.372 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.852 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 ttm . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -61.22 162.98 6.79 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.502 0.721 . . . . 0.0 112.082 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.17 179.29 6.98 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.103 -163.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -103.46 109.77 21.55 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.527 1.131 . . . . 0.0 109.035 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.446 ' HB2' ' CG ' ' A' ' 17' ' ' ARG . 35.1 mt-10 -94.93 107.8 19.84 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.438 -178.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.473 ' HA ' ' HB3' ' A' ' 16' ' ' PHE . 24.6 mt -96.17 126.1 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.041 0.936 . . . . 0.0 109.042 -172.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.601 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.0 p90 -140.49 179.97 6.36 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.263 0.554 . . . . 0.0 109.711 177.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -117.33 141.54 48.19 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 162.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.651 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.4 t70 -90.81 169.36 11.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -176.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -41.17 -37.54 0.92 Allowed 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 126.376 1.871 . . . . 0.0 113.211 -177.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.45 11.63 1.53 Allowed 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 124.166 0.986 . . . . 0.0 112.852 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.96 25.78 64.61 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 123.528 0.585 . . . . 0.0 112.695 -172.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -105.5 133.83 49.61 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -170.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -88.22 114.38 24.78 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.831 0.824 . . . . 0.0 109.723 -166.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.651 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 97.9 mtt180 -135.77 138.19 42.39 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.209 -1.814 . . . . 0.0 109.268 -171.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.473 ' HB3' ' HA ' ' A' ' 6' ' ' ILE . 32.1 p90 -124.02 169.21 11.88 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.226 0.61 . . . . 0.0 110.564 174.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' CG ' ' HB2' ' A' ' 5' ' ' GLU . 8.3 ptm180 -127.51 159.94 33.03 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.767 178.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.4 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.1 t80 -118.77 130.64 55.91 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 167.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -98.82 -177.79 3.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.574 -1.193 . . . . 0.0 110.811 -174.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.415 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . . . -138.46 164.33 29.66 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.475 1.11 . . . . 0.0 108.064 173.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -51.85 -31.41 27.65 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -176.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -75.75 -9.54 58.68 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.838 0.855 . . . . 0.0 111.818 -178.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.02 45.6 10.21 Favored Glycine 0 C--N 1.341 0.821 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 7.7 pt-20 -125.12 142.23 51.62 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.998 0.919 . . . . 0.0 109.063 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 m -96.62 131.06 43.65 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.532 0.733 . . . . 0.0 109.703 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.441 ' HE1' ' O ' ' B' ' 41' ' ' ALA . 1.0 OUTLIER -108.69 -17.95 13.83 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.283 -176.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' HD2' ' HG2' ' B' ' 30' ' ' GLU . 0.0 OUTLIER -163.68 165.84 22.85 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 160.122 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.7 p -178.31 172.52 1.51 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 114.469 -1.241 . . . . 0.0 111.278 -170.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m 64.63 24.21 12.94 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 165.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.505 ' HG2' ' HD2' ' B' ' 27' ' ' PHE . 0.0 OUTLIER -52.7 -36.33 57.08 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.398 1.079 . . . . 0.0 111.437 170.135 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.49 55.5 20.27 Favored Glycine 0 C--N 1.36 1.87 0 CA-C-O 119.262 -0.743 . . . . 0.0 112.598 172.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -69.51 -62.84 1.22 Allowed 'General case' 0 C--N 1.353 0.76 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -167.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -171.93 -74.54 0.01 OUTLIER 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.579 0.549 . . . . 0.0 112.185 163.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.34 172.52 8.6 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.352 0.661 . . . . 0.0 109.684 -168.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 2.5 pptp? -67.25 -43.41 81.96 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.601 0.637 . . . . 0.0 111.306 -177.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -56.63 -40.67 75.79 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.79 0.436 . . . . 0.0 110.857 175.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.7 m -71.83 -30.73 65.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.822 0.849 . . . . 0.0 111.093 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.81 -54.38 16.19 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.604 0.762 . . . . 0.0 110.824 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.88 -46.8 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.207 0.603 . . . . 0.0 110.91 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -55.83 -40.81 73.33 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.973 0.509 . . . . 0.0 111.659 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HB1' ' HE2' ' B' ' 26' ' ' MET . . . -59.35 -52.06 67.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.2 0.6 . . . . 0.0 110.058 173.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.07 -27.74 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.788 178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.6 mt-10 -67.45 -32.71 73.76 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 119.116 -0.469 . . . . 0.0 110.19 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.1 m -57.45 -39.22 75.82 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.628 0.58 . . . . 0.0 111.567 171.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.518 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.6 mm -67.04 -42.61 88.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -175.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.2 mmmm -59.78 -26.33 65.63 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -177.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 29.7 mmt180 -71.42 -50.29 33.35 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.963 -171.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -170.35 18.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.518 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 7.7 t -62.31 -37.29 85.0 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.551 -0.718 . . . . 0.0 112.221 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.564 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.09 -24.94 68.13 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.353 174.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.66 -11.72 46.42 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.675 173.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.73 138.86 56.57 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.9 0.88 . . . . 0.0 111.087 -175.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -68.13 159.33 31.19 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.809 0.444 . . . . 0.0 111.365 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -115.32 102.52 9.93 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.41 127.86 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.95 0.9 . . . . 0.0 110.196 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -107.18 121.13 43.9 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 122.847 0.459 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -96.56 -20.55 18.27 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.518 1.127 . . . . 0.0 112.784 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.61 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 8.8 t -86.57 5.06 37.43 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 122.801 0.44 . . . . 0.0 111.678 -172.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.674 HG22 ' HZ1' ' B' ' 35' ' ' LYS . 0.8 OUTLIER -70.47 -24.76 62.93 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.708 0.803 . . . . 0.0 109.863 167.738 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -147.96 -173.02 4.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.33 1.052 . . . . 0.0 110.008 -171.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.6 p -99.85 128.07 45.97 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.592 0.757 . . . . 0.0 109.045 168.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.275 0 C-N-CA 123.829 0.852 . . . . 0.0 109.225 -179.406 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttm . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -68.34 162.66 24.77 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.549 0.69 . . . . 0.0 111.827 170.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.95 178.94 7.35 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.015 -167.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -103.29 109.48 21.1 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.607 1.163 . . . . 0.0 109.284 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -94.24 106.04 18.02 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.58 0.752 . . . . 0.0 109.187 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.447 ' HA ' ' HB3' ' B' ' 16' ' ' PHE . 23.6 mt -95.8 125.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.838 0.855 . . . . 0.0 109.082 -172.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.658 ' HE1' ' HG3' ' B' ' 17' ' ' ARG . 47.1 p90 -140.51 -179.46 6.03 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.336 0.589 . . . . 0.0 109.702 176.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -116.75 141.58 48.02 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 163.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -92.01 169.41 10.68 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -41.05 -37.43 0.84 Allowed 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 126.358 1.863 . . . . 0.0 113.243 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.55 11.75 1.52 Allowed 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 124.328 1.051 . . . . 0.0 112.757 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.33 26.16 63.66 Favored Glycine 0 C--N 1.352 1.458 0 C-N-CA 123.714 0.674 . . . . 0.0 112.69 -172.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -104.88 133.08 50.29 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -170.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -88.05 114.19 24.42 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.901 0.857 . . . . 0.0 109.825 -166.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -135.64 137.75 42.18 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 113.127 -1.851 . . . . 0.0 109.393 -170.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.447 ' HB3' ' HA ' ' B' ' 6' ' ' ILE . 32.5 p90 -124.02 168.37 12.93 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.445 0.64 . . . . 0.0 110.478 174.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.658 ' HG3' ' HE1' ' B' ' 7' ' ' TYR . 16.7 mtm180 -125.1 159.92 30.29 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.326 -1.306 . . . . 0.0 109.436 178.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -119.03 130.83 55.86 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 165.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -98.61 -177.78 3.78 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.94 -174.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.83 163.91 30.24 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.514 1.125 . . . . 0.0 108.191 173.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.9 p -52.35 -30.75 30.19 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -75.57 -9.59 58.71 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 123.689 0.795 . . . . 0.0 111.793 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.22 46.06 9.5 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -173.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -125.69 141.97 51.75 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.201 1.0 . . . . 0.0 108.97 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 90.9 m -96.01 131.58 42.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.451 0.7 . . . . 0.0 109.555 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.444 ' HE2' ' HB1' ' A' ' 41' ' ' ALA . 1.1 ppp? -108.96 -18.07 13.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.272 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.505 ' HD2' ' HG2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -163.95 166.03 22.04 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 160.436 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.441 ' CB ' ' HG2' ' B' ' 17' ' ' ARG . 58.9 p -178.06 173.02 1.54 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.583 -169.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m 63.36 24.62 14.29 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 164.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.489 ' HG2' ' HD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -52.6 -35.93 55.19 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.402 1.081 . . . . 0.0 111.528 169.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.53 54.94 23.18 Favored Glycine 0 C--N 1.359 1.859 0 CA-C-O 119.223 -0.765 . . . . 0.0 112.404 172.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -69.19 -62.83 1.22 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -167.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -172.24 -74.93 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 O-C-N 123.639 0.587 . . . . 0.0 112.123 163.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.18 171.5 9.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.321 0.648 . . . . 0.0 109.322 -167.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.674 ' HZ1' HG22 ' A' ' 59' ' ' THR . 14.6 tttp -65.99 -45.02 83.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.26 0.624 . . . . 0.0 110.966 -177.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.65 -41.02 73.02 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.931 0.492 . . . . 0.0 111.03 174.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.7 m -72.05 -30.78 65.51 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.747 0.819 . . . . 0.0 111.187 176.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.21 -54.64 16.37 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 123.794 0.838 . . . . 0.0 110.833 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.412 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.4 mp -56.68 -47.06 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.185 0.594 . . . . 0.0 110.813 174.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -56.43 -40.36 74.63 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 123.518 0.511 . . . . 0.0 111.385 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.441 ' O ' ' HE1' ' A' ' 26' ' ' MET . . . -59.15 -52.39 65.91 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.059 0.544 . . . . 0.0 110.184 173.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 70.9 mt -59.5 -28.3 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 122.956 0.502 . . . . 0.0 111.894 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.522 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 46.4 mt-10 -67.46 -31.78 72.17 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.587 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 28.6 m -58.08 -39.0 77.47 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.439 0.462 . . . . 0.0 111.723 170.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.506 HG22 ' HG ' ' B' ' 49' ' ' SER . 2.6 mm -67.47 -42.35 87.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.5 mmmm -60.15 -26.43 66.29 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 31.5 mmt180 -70.38 -49.99 43.38 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.705 -172.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -170.99 17.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -169.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.506 ' HG ' HG22 ' B' ' 45' ' ' ILE . 87.4 p -61.59 -38.35 87.22 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 118.765 0.711 . . . . 0.0 112.052 -176.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.563 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.52 -24.9 67.74 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.633 0.773 . . . . 0.0 112.302 175.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.86 -12.13 44.39 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.771 -0.46 . . . . 0.0 113.578 173.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.48 138.98 57.01 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.862 0.865 . . . . 0.0 111.116 -175.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -69.53 159.67 32.9 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.922 0.391 . . . . 0.0 111.345 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.3 m -115.0 101.84 9.39 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 90.6 t -103.14 126.97 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.518 1.127 . . . . 0.0 109.545 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.421 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.2 t70 -106.84 121.4 44.34 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.112 0.565 . . . . 0.0 110.784 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.21 -24.04 15.89 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.969 1.307 . . . . 0.0 112.57 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.601 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.2 t -78.56 -30.75 47.03 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -165.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 66.5 p -94.46 -14.59 25.02 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 53.7 ttp -71.25 -55.15 8.66 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 124.036 0.934 . . . . 0.0 109.245 168.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 17.4 p -138.4 120.45 15.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.287 1.035 . . . . 0.0 109.288 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' B' ' 58' ' ' THR . . . . . . . . 0 C--O 1.251 1.152 0 C-N-CA 123.815 0.846 . . . . 0.0 109.166 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.4 ttm . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -155.13 174.41 15.24 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.163 0.985 . . . . 0.0 110.332 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.8 OUTLIER -164.44 176.31 9.15 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.248 0.547 . . . . 0.0 111.699 -173.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -95.29 112.85 24.5 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.595 1.158 . . . . 0.0 108.545 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -93.67 106.04 18.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.536 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 21.4 mt -99.93 120.67 49.66 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -177.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.533 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 34.4 p90 -138.12 -177.25 4.74 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -122.03 151.73 40.53 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 161.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.422 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 31.0 t70 -81.54 164.55 21.87 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.88 -35.65 10.79 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.332 1.453 . . . . 0.0 111.411 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.3 13.56 1.15 Allowed 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 115.179 -0.918 . . . . 0.0 112.224 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.06 21.64 77.01 Favored Glycine 0 C--N 1.349 1.254 0 C-N-CA 124.435 1.017 . . . . 0.0 113.34 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.422 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 36.3 mt-10 -95.79 96.83 9.23 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.354 0.261 . . . . 0.0 111.269 -168.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.469 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 74.6 m-85 -52.86 124.32 13.76 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.056 0.542 . . . . 0.0 111.579 174.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -146.7 136.69 23.4 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 126.069 1.748 . . . . 0.0 108.161 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -116.19 133.45 56.01 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 172.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -110.19 161.54 15.47 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.623 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 11.6 t80 -117.59 134.1 55.24 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 175.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -96.88 -178.6 4.28 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.866 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.521 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . . . -136.06 165.67 25.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.891 177.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.7 p -57.72 -27.45 62.99 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.713 0.805 . . . . 0.0 112.663 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -75.89 -7.65 55.03 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.883 0.873 . . . . 0.0 111.559 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.53 42.23 55.96 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -173.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.521 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 17.1 pt-20 -121.32 138.56 54.19 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.6 m -88.61 138.36 31.49 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.623 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.1 ppp? -115.18 -11.83 11.96 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.887 -177.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.581 ' HE2' ' HB3' ' A' ' 29' ' ' SER . 9.5 p90 -162.84 158.94 23.29 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.174 0.511 . . . . 0.0 111.247 162.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 t -120.19 132.63 55.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 113.099 -1.864 . . . . 0.0 106.058 169.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.581 ' HB3' ' HE2' ' A' ' 27' ' ' PHE . 95.4 p -98.6 178.62 4.95 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.431 1.014 . . . . 0.0 111.782 -171.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.49 -28.92 68.25 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.38 -1.736 . . . . 0.0 110.616 168.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 79.4 -11.08 33.0 Favored Glycine 0 C--N 1.359 1.816 0 CA-C-N 116.074 -0.512 . . . . 0.0 113.839 -172.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.7 t80 80.84 -60.79 0.25 Allowed 'General case' 0 C--N 1.355 0.84 0 C-N-CA 126.329 1.852 . . . . 0.0 110.622 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -156.16 -69.12 0.11 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.854 0.462 . . . . 0.0 111.01 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.438 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -133.37 -172.99 3.09 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.276 1.03 . . . . 0.0 109.086 -171.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.62 ' HG2' HG23 ' B' ' 61' ' ' THR . 0.0 OUTLIER -68.28 -48.72 64.26 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 118.406 0.548 . . . . 0.0 109.654 179.277 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.78 88.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.224 0.61 . . . . 0.0 110.698 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.438 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 4.4 m -71.22 -29.91 65.72 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.657 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.02 -43.33 71.55 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.222 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.73 -48.3 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.455 0.702 . . . . 0.0 110.471 171.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -58.53 -39.43 80.13 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.387 0.675 . . . . 0.0 110.594 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB1' ' HE2' ' B' ' 26' ' ' MET . . . -61.1 -52.47 64.78 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.033 174.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.559 ' HA ' HG12 ' A' ' 45' ' ' ILE . 94.3 mt -60.65 -25.19 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.114 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.6 mt-10 -67.04 -31.84 72.65 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 122.28 -0.262 . . . . 0.0 110.343 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 4.2 m -59.35 -38.86 81.45 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 123.335 0.397 . . . . 0.0 111.897 168.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.559 HG12 ' HA ' ' A' ' 42' ' ' ILE . 4.7 mm -67.16 -40.29 84.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.7 mmmm -63.62 -19.26 64.72 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 17.7 mmm180 -73.95 -55.53 6.05 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.464 -174.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.51 ' ND2' ' SD ' ' B' ' 1' ' ' MET . 8.5 t30 -166.73 16.78 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -169.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.476 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 7.4 t -61.39 -36.87 81.47 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.381 -0.824 . . . . 0.0 112.711 -174.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.09 -22.27 66.74 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 175.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.17 -6.19 29.87 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-O 119.864 -0.409 . . . . 0.0 113.627 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.57 138.4 58.38 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.005 0.922 . . . . 0.0 111.182 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.67 151.25 47.75 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 122.863 0.465 . . . . 0.0 110.616 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.4 m -114.94 118.79 34.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.445 0.698 . . . . 0.0 109.317 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.0 t -127.97 126.13 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.434 1.094 . . . . 0.0 109.395 -172.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.536 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.9 p-10 -103.39 108.17 19.3 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.87 0.843 . . . . 0.0 110.431 172.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.06 -18.74 60.79 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.863 1.265 . . . . 0.0 111.625 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.568 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.0 t -86.76 -13.87 43.99 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.751 0.42 . . . . 0.0 111.829 -172.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.0 p 34.83 33.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -174.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 93.8 mmm -82.38 140.36 33.53 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.016 0.526 . . . . 0.0 109.714 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 89.5 m -75.05 -35.81 61.86 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.395 0.678 . . . . 0.0 110.725 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.305 0 C-N-CA 123.57 0.748 . . . . 0.0 110.434 -179.057 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.51 ' SD ' ' ND2' ' A' ' 48' ' ' ASN . 51.7 ttm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.22 170.81 9.46 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.094 0.473 . . . . 0.0 111.391 170.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -162.91 175.94 10.69 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.345 -173.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -94.32 112.8 24.61 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.607 1.163 . . . . 0.0 108.687 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -93.17 105.62 17.69 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.536 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 14.2 mt -99.53 120.31 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.568 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 27.2 p90 -137.84 -177.18 4.69 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -122.62 151.58 41.32 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 161.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.469 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 33.4 t70 -81.06 164.62 22.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 177.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -48.32 -35.67 12.79 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 125.411 1.484 . . . . 0.0 111.563 176.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.63 13.35 1.02 Allowed 'General case' 0 CA--C 1.564 1.5 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.447 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.22 21.31 77.16 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 124.273 0.94 . . . . 0.0 113.167 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.469 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 48.3 mt-10 -95.26 97.25 9.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.655 0.382 . . . . 0.0 111.086 -168.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.458 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 97.2 m-85 -53.75 124.78 16.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.879 0.472 . . . . 0.0 111.056 174.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -146.22 137.0 24.28 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 126.139 1.775 . . . . 0.0 108.192 -176.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -116.18 134.01 55.4 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -110.27 161.82 15.22 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.643 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 11.7 t80 -117.61 134.06 55.29 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 174.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -96.6 -178.84 4.4 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.764 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.33 164.82 26.87 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.282 1.033 . . . . 0.0 108.688 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 28.3 p -57.79 -26.65 62.23 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.513 0.725 . . . . 0.0 112.534 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -76.71 -6.94 54.25 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.8 0.84 . . . . 0.0 112.005 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.4 41.28 58.88 Favored Glycine 0 C--N 1.344 0.985 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 -173.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -120.66 138.55 53.87 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.2 1.0 . . . . 0.0 108.593 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 59.0 m -88.97 138.32 31.51 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.643 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.1 ppp? -115.12 -12.21 11.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.726 0.81 . . . . 0.0 111.844 -176.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.594 ' HE2' ' HB3' ' B' ' 29' ' ' SER . 9.7 p90 -162.58 158.53 23.53 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.319 0.581 . . . . 0.0 111.342 163.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 75.6 m -119.62 133.03 55.82 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 113.171 -1.831 . . . . 0.0 106.511 168.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.594 ' HB3' ' HE2' ' B' ' 27' ' ' PHE . 92.9 p -98.7 178.66 4.92 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.415 1.007 . . . . 0.0 111.775 -171.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.31 -29.19 68.71 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.233 -1.803 . . . . 0.0 110.634 168.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 79.26 -10.92 32.89 Favored Glycine 0 C--N 1.357 1.729 0 CA-C-N 115.889 -0.596 . . . . 0.0 113.737 -172.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 72.2 t80 80.92 -61.12 0.23 Allowed 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.032 1.733 . . . . 0.0 110.508 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -156.37 -69.17 0.11 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.928 0.491 . . . . 0.0 110.824 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.44 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -133.23 -173.53 3.23 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.055 0.942 . . . . 0.0 109.447 -171.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.83 -50.59 62.1 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 118.684 0.675 . . . . 0.0 109.329 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.94 82.9 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.134 0.573 . . . . 0.0 110.966 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.44 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 2.8 m -72.33 -29.72 64.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.006 0.922 . . . . 0.0 110.539 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.13 -43.35 71.13 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.154 176.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 1.8 mp -56.99 -48.77 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.451 0.7 . . . . 0.0 110.414 171.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -57.17 -40.29 77.01 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.427 0.691 . . . . 0.0 110.758 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -60.51 -52.67 64.2 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.108 174.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.518 ' HA ' HG12 ' B' ' 45' ' ' ILE . 94.6 mt -60.33 -25.71 34.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.021 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.498 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 19.2 mm-40 -66.86 -31.88 72.79 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.41 ' HB2' ' HE1' ' A' ' 26' ' ' MET . 13.5 m -59.11 -38.63 80.02 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 168.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' B' ' 42' ' ' ILE . 3.6 mm -67.89 -40.07 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.498 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.4 mmmm -63.84 -18.78 64.49 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -177.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 26.7 mmt180 -74.54 -54.9 6.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.31 -173.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -167.25 16.63 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 -169.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.466 ' HG ' HG22 ' B' ' 45' ' ' ILE . 85.9 p -60.42 -37.74 81.84 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -175.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.2 -22.39 66.84 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.391 0.676 . . . . 0.0 112.207 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.95 -6.07 30.39 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-O 119.785 -0.453 . . . . 0.0 113.723 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.75 137.75 57.98 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.144 0.978 . . . . 0.0 111.172 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.406 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 17.2 t0 -65.49 151.2 46.95 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.196 0.598 . . . . 0.0 110.776 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.8 m -115.5 119.3 35.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.276 0.63 . . . . 0.0 109.522 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.92 126.04 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.36 1.064 . . . . 0.0 109.092 -172.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.536 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 7.8 p-10 -102.99 107.39 18.17 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.543 0.611 . . . . 0.0 110.447 171.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 60.8 mt -72.47 -15.48 61.81 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.878 1.271 . . . . 0.0 111.717 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.533 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.8 t -90.7 24.27 2.76 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 124.276 1.03 . . . . 0.0 110.54 -177.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.1 p -27.43 -56.67 0.1 Allowed 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 126.331 1.852 . . . . 0.0 114.406 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 89.5 mtp -82.67 87.49 6.73 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 173.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.62 HG23 ' HG2' ' A' ' 35' ' ' LYS . 34.1 p -77.44 155.1 32.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.716 0.807 . . . . 0.0 112.078 -172.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 C-N-CA 123.901 0.88 . . . . 0.0 109.512 -177.449 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttm . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -66.99 167.41 11.82 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 121.082 0.468 . . . . 0.0 111.339 169.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.419 ' HA ' ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -168.29 -175.42 2.57 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.366 -165.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -103.92 121.64 43.53 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.855 0.862 . . . . 0.0 108.767 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -96.45 112.51 24.22 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.9 mt -102.39 119.72 51.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.487 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 27.4 p90 -133.05 -176.49 4.14 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.58 148.73 47.66 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 170.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.95 173.87 7.22 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 123.457 0.703 . . . . 0.0 109.986 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -45.44 -33.61 2.71 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 125.752 1.908 . . . . 0.0 114.163 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.462 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -72.22 2.6 5.69 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.982 0.913 . . . . 0.0 112.315 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.9 38.33 96.39 Favored Glycine 0 C--N 1.354 1.564 0 C-N-CA 123.93 0.776 . . . . 0.0 112.301 -173.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -125.72 152.84 44.77 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.684 ' HH ' HG21 ' B' ' 61' ' ' THR . 75.2 m-85 -92.4 132.89 36.39 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -168.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -125.55 139.52 53.53 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.756 1.623 . . . . 0.0 109.149 -173.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.474 ' HD1' ' H ' ' A' ' 31' ' ' GLY . 5.0 p90 -106.06 157.47 17.51 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 175.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -143.49 133.03 23.55 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 124.148 0.905 . . . . 0.0 110.336 157.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.473 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.1 t80 -97.44 125.85 42.34 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 176.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -96.14 -180.0 4.86 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.446 -170.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -130.03 159.94 35.19 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.73 176.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -51.6 -32.38 28.58 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.522 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 6.7 t30 -78.3 -6.5 55.22 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.091 0.556 . . . . 0.0 111.566 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.53 12.52 69.48 Favored Glycine 0 C--N 1.346 1.085 0 C-N-CA 123.001 0.334 . . . . 0.0 112.669 -172.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.522 ' HG2' ' HB3' ' A' ' 22' ' ' ASN . 23.0 mm-40 -75.63 164.63 26.1 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.731 0.812 . . . . 0.0 110.406 175.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.9 m -128.78 124.23 34.92 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 176.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.473 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -99.42 -16.7 18.29 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.596 -173.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.15 165.36 19.85 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 161.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.8 p -175.4 145.37 0.74 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.841 -174.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 p 166.72 -93.81 0.0 OUTLIER 'General case' 0 C--N 1.37 1.482 0 O-C-N 124.716 1.26 . . . . 0.0 111.684 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.38 -54.65 29.47 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -157.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.474 ' H ' ' HD1' ' A' ' 16' ' ' PHE . . . 64.99 10.89 49.01 Favored Glycine 0 N--CA 1.492 2.416 0 C-N-CA 123.245 0.45 . . . . 0.0 114.203 -168.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.1 t80 71.03 -74.88 0.08 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.661 1.984 . . . . 0.0 110.273 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -167.66 -79.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.894 0.477 . . . . 0.0 111.262 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.59 165.49 11.63 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.212 1.005 . . . . 0.0 109.651 -171.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -47.82 83.56 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 119.481 1.037 . . . . 0.0 112.794 -172.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.8 -47.88 70.37 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 121.267 0.556 . . . . 0.0 110.912 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.5 m -74.7 -24.03 58.7 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.302 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.31 -55.77 12.51 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.552 0.741 . . . . 0.0 110.165 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 mp -58.87 -47.33 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.041 0.536 . . . . 0.0 110.344 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -55.76 -38.31 69.68 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 123.87 0.731 . . . . 0.0 111.848 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -60.21 -54.84 41.07 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.426 ' HA ' HG12 ' A' ' 45' ' ' ILE . 76.3 mt -61.01 -22.38 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 122.842 0.457 . . . . 0.0 111.869 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.5 mt-10 -68.64 -34.19 75.31 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 4.3 m -55.01 -36.68 65.71 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 124.137 0.898 . . . . 0.0 112.008 171.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.592 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.5 mm -68.3 -41.47 83.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -176.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.58 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -71.44 -16.16 62.37 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 123.862 0.865 . . . . 0.0 112.403 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 15.4 mmt180 -69.9 -56.14 7.85 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.566 0.541 . . . . 0.0 111.123 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -169.2 16.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -170.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.9 t -66.37 -35.75 81.14 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 121.691 -0.631 . . . . 0.0 112.693 -176.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.59 -31.21 72.0 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.773 0.32 . . . . 0.0 111.227 172.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.75 -2.59 64.88 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.838 177.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.33 164.66 25.29 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.303 0.641 . . . . 0.0 110.648 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -93.44 162.24 14.06 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.029 0.532 . . . . 0.0 110.181 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.7 m -112.15 99.49 8.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.72 0.808 . . . . 0.0 108.832 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.9 t -100.23 128.94 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.423 1.089 . . . . 0.0 109.641 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -110.53 110.39 21.09 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.214 0.606 . . . . 0.0 109.615 173.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.477 HD12 ' HB3' ' B' ' 5' ' ' GLU . 42.4 mt -74.86 -32.41 61.89 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.817 1.247 . . . . 0.0 112.859 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.531 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 13.1 t -93.3 0.19 56.9 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 118.487 0.585 . . . . 0.0 112.099 -162.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.628 HG23 ' HD2' ' B' ' 35' ' ' LYS . 81.1 p -116.2 15.22 15.97 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.8 ttm -69.41 -40.75 77.12 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.533 -1.212 . . . . 0.0 109.481 169.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 59.3 m -133.25 -64.96 0.71 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.914 0.885 . . . . 0.0 109.924 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 123.89 0.876 . . . . 0.0 110.021 -174.63 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.9 ttm . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -71.89 166.63 21.72 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 121.195 0.521 . . . . 0.0 111.388 170.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -169.92 -175.08 1.96 Allowed 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.916 -166.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -103.68 122.29 44.73 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.841 0.857 . . . . 0.0 108.784 177.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.477 ' HB3' HD12 ' A' ' 57' ' ' LEU . 39.2 mt-10 -97.7 112.26 24.22 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.4 mt -101.96 119.19 49.9 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.531 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 23.2 p90 -132.6 -176.46 4.1 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.58 149.55 46.91 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 170.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.69 173.81 7.14 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 123.456 0.702 . . . . 0.0 109.714 178.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -45.86 -33.4 3.15 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 125.724 1.89 . . . . 0.0 114.094 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.46 ' N ' ' HD3' ' B' ' 10' ' ' LYS . . . -72.41 2.62 5.9 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.206 1.003 . . . . 0.0 112.171 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.75 37.98 95.51 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 123.603 0.62 . . . . 0.0 112.302 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.408 ' HB2' ' NH1' ' B' ' 15' ' ' ARG . 46.0 mt-10 -126.23 152.73 45.68 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -174.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.422 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 46.2 m-85 -91.4 132.19 36.37 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -169.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -123.43 138.81 54.51 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.427 1.891 . . . . 0.0 108.988 -174.32 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.635 ' HE1' ' HB3' ' B' ' 38' ' ' ALA . 11.6 m-85 -103.28 157.76 16.79 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 173.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -143.49 132.92 23.41 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.222 0.951 . . . . 0.0 110.626 155.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.472 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 14.6 t80 -96.81 126.02 41.67 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 175.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -96.59 179.46 4.99 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.341 -170.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' B' ' 24' ' ' GLU . . . -129.41 159.99 34.5 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.949 1.299 . . . . 0.0 108.876 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -51.6 -33.09 31.3 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.34 1.056 . . . . 0.0 113.578 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -77.31 -7.02 55.33 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.358 0.663 . . . . 0.0 112.129 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.97 11.71 69.64 Favored Glycine 0 N--CA 1.468 0.819 0 C-N-CA 122.909 0.29 . . . . 0.0 112.684 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.431 ' HB2' ' HB1' ' B' ' 20' ' ' ALA . 32.5 mt-10 -74.65 165.49 25.13 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.62 0.768 . . . . 0.0 110.449 174.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 12.8 m -129.58 124.01 32.74 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.472 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.6 ppp? -99.57 -15.82 18.48 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.771 -173.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -165.09 166.47 19.12 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.464 0.65 . . . . 0.0 110.899 161.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -175.24 146.91 0.86 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 113.473 -1.694 . . . . 0.0 108.383 -176.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.517 ' O ' ' HG3' ' B' ' 15' ' ' ARG . 2.2 m 165.33 -94.45 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 124.795 1.309 . . . . 0.0 111.718 178.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.581 ' HG2' ' H ' ' B' ' 32' ' ' TYR . 0.0 OUTLIER -63.33 -53.86 46.01 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -157.673 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 65.35 9.1 41.21 Favored Glycine 0 N--CA 1.478 1.487 0 N-CA-C 114.638 0.615 . . . . 0.0 114.638 -167.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.581 ' H ' ' HG2' ' B' ' 30' ' ' GLU . 63.0 t80 71.5 -75.59 0.07 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.563 1.945 . . . . 0.0 109.804 -177.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -167.1 -79.97 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.753 0.421 . . . . 0.0 111.617 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.93 165.32 11.67 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.083 0.953 . . . . 0.0 109.514 -172.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.628 ' HD2' HG23 ' A' ' 59' ' ' THR . 52.9 tttp -60.84 -49.09 78.87 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 119.222 0.919 . . . . 0.0 112.417 -172.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.94 -48.04 67.63 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.684 0.394 . . . . 0.0 110.784 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.0 m -75.1 -23.22 57.91 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.31 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.635 ' HB3' ' HE1' ' B' ' 16' ' ' PHE . . . -67.03 -56.53 9.71 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.903 0.881 . . . . 0.0 110.323 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.37 -47.61 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.291 0.637 . . . . 0.0 110.632 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -55.2 -38.82 68.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.757 0.661 . . . . 0.0 111.399 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.46 ' HB2' ' HE2' ' A' ' 26' ' ' MET . . . -60.8 -54.62 42.92 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.438 ' HA ' HG12 ' B' ' 45' ' ' ILE . 77.5 mt -60.4 -23.16 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 80.0 mt-10 -68.3 -33.85 75.08 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.453 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 14.6 m -54.94 -37.06 65.95 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 123.913 0.758 . . . . 0.0 111.794 171.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.591 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.8 mm -68.2 -41.63 84.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -176.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.594 ' HD2' ' N ' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -71.34 -16.63 62.44 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 124.038 0.935 . . . . 0.0 112.319 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 63.0 mtt180 -69.11 -56.58 7.27 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.57 17.02 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -170.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.591 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 17.7 t -66.62 -35.6 80.56 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.11 -32.05 73.33 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 120.65 0.262 . . . . 0.0 111.176 173.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.8 -1.78 67.58 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 116.027 -0.533 . . . . 0.0 113.011 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.419 ' HB1' ' HA ' ' A' ' 3' ' ' LYS . . . -71.65 164.29 26.18 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.318 0.647 . . . . 0.0 110.572 177.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -93.49 162.06 14.12 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.085 0.554 . . . . 0.0 110.009 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.7 m -112.26 99.92 8.41 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 39.1 t -100.48 128.75 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.183 0.993 . . . . 0.0 109.555 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -109.83 110.17 21.07 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.402 0.681 . . . . 0.0 109.973 173.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.75 -30.78 61.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.066 1.346 . . . . 0.0 112.7 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.487 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 8.2 t -96.87 14.84 23.92 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.541 -165.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 34.2 p -29.32 -50.63 0.1 Allowed 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 125.914 1.686 . . . . 0.0 114.587 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 79.0 mtp -87.78 73.98 9.18 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.442 0.697 . . . . 0.0 109.872 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.684 HG21 ' HH ' ' A' ' 14' ' ' TYR . 17.2 p -75.56 106.81 7.31 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.869 177.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.824 0 C-N-CA 124.223 1.009 . . . . 0.0 109.272 -172.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttp . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -66.82 156.63 35.08 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.218 0.533 . . . . 0.0 111.337 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.476 ' HZ3' ' HG2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -166.48 -179.11 4.76 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.611 -166.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 55.5 m-85 -103.87 117.26 33.9 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.976 -179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' HG2' ' HZ3' ' A' ' 3' ' ' LYS . 59.9 mt-10 -94.24 113.22 25.09 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.5 mt -102.3 119.85 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.603 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 34.4 p90 -138.13 178.45 7.11 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.475 HE21 ' HA2' ' A' ' 12' ' ' GLY . 9.4 pt20 -122.94 152.25 41.02 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 166.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.31 161.44 25.07 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -34.27 62.18 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.519 0.727 . . . . 0.0 111.194 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.56 0.62 0.3 Allowed 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 124.635 1.174 . . . . 0.0 113.768 172.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.475 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 78.91 20.79 69.73 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 124.536 1.065 . . . . 0.0 113.044 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -104.31 103.51 13.27 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.475 0.31 . . . . 0.0 111.438 -167.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -60.33 136.57 58.08 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.52 140.03 13.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 113.475 -1.693 . . . . 0.0 109.175 173.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -108.8 171.68 7.28 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-O 121.417 0.627 . . . . 0.0 109.989 170.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 12.5 ptp180 -148.01 167.51 24.73 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.833 174.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.506 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 12.6 t80 -118.27 132.91 56.27 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 174.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -101.07 -178.23 3.69 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.52 -173.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.13 160.07 38.93 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.517 1.127 . . . . 0.0 108.404 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.2 m -42.98 -44.11 4.49 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -89.54 -3.39 58.35 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 123.439 0.695 . . . . 0.0 111.425 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.91 22.41 8.88 Favored Glycine 0 N--CA 1.475 1.256 0 N-CA-C 114.625 0.61 . . . . 0.0 114.625 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.64 163.85 23.3 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.798 0.439 . . . . 0.0 109.91 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 m -130.47 144.45 51.41 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 172.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.506 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.8 ppp? -126.23 -22.04 4.13 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.329 0.652 . . . . 0.0 112.037 -173.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.735 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 1.4 p90 -149.82 158.51 44.24 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 117.977 0.353 . . . . 0.0 110.243 168.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -168.38 -179.13 3.82 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 125.059 1.474 . . . . 0.0 110.874 178.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 m 93.69 17.47 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.181 1.393 . . . . 0.0 113.24 156.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.674 ' HG2' ' HA ' ' B' ' 27' ' ' PHE . 11.1 tp10 -101.39 -92.96 0.3 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 123.21 0.604 . . . . 0.0 110.484 173.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.49 -20.28 38.98 Favored Glycine 0 N--CA 1.483 1.798 0 C-N-CA 123.372 0.511 . . . . 0.0 112.158 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.409 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 3.3 t80 78.92 -57.29 0.43 Allowed 'General case' 0 C--N 1.352 0.698 0 C-N-CA 126.904 2.082 . . . . 0.0 110.946 172.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -159.62 -55.39 0.06 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.683 0.793 . . . . 0.0 109.671 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.14 -176.2 4.92 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.476 ' O ' HD13 ' A' ' 39' ' ' ILE . 16.9 ptpt -70.1 -39.34 75.59 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.706 0.684 . . . . 0.0 110.019 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.32 88.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.285 0.634 . . . . 0.0 110.487 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m -66.01 -27.5 68.17 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.824 175.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.11 -51.76 29.01 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.804 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' ' 35' ' ' LYS . 4.0 mp -54.37 -53.04 33.5 Favored 'Isoleucine or valine' 0 C--N 1.374 1.646 0 CA-C-N 118.84 0.745 . . . . 0.0 109.945 175.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -57.14 -40.75 77.81 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 123.562 0.745 . . . . 0.0 111.553 -177.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -57.17 -56.56 20.19 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 173.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.7 -24.36 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 C-N-CA 123.753 0.821 . . . . 0.0 112.379 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 25.7 mm-40 -70.24 -26.9 64.06 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.756 -0.59 . . . . 0.0 110.244 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 58.3 m -54.35 -38.39 66.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 123.556 0.535 . . . . 0.0 111.727 165.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.497 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 5.8 mm -68.89 -39.55 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -176.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.592 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -70.41 -15.32 62.83 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.938 0.895 . . . . 0.0 112.51 179.663 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 31.3 mmm180 -63.44 -61.02 2.61 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 123.977 0.798 . . . . 0.0 110.971 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -173.14 19.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.608 0.568 . . . . 0.0 111.254 -173.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.497 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 20.5 t -65.14 -31.75 73.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -176.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.5 -27.38 69.1 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 120.865 0.364 . . . . 0.0 111.59 171.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.78 -0.15 55.24 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 115.784 -0.643 . . . . 0.0 113.195 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.35 166.86 20.74 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 117.338 0.569 . . . . 0.0 110.921 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -96.73 162.97 13.2 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.294 0.638 . . . . 0.0 109.749 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.7 m -115.42 99.47 7.4 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.078 0.951 . . . . 0.0 109.482 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.82 126.6 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.558 0.743 . . . . 0.0 110.021 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.417 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.8 p-10 -99.93 108.33 20.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.349 0.66 . . . . 0.0 110.006 176.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -74.08 -16.5 61.03 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.42 1.088 . . . . 0.0 111.627 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.53 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 11.4 t -97.81 32.97 2.19 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 124.801 1.24 . . . . 0.0 109.596 -178.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.6 p -33.18 -50.75 0.31 Allowed 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 124.836 1.254 . . . . 0.0 113.071 171.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.4 ttt -76.01 103.54 6.12 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 166.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.464 HG23 ' HE2' ' B' ' 35' ' ' LYS . 40.4 p -87.15 138.55 31.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.628 0.771 . . . . 0.0 111.086 -174.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 172.29 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -75.31 147.32 40.26 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.576 0.703 . . . . 0.0 110.555 166.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.96 -179.86 6.01 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 124.947 1.299 . . . . 0.0 109.434 -167.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -104.6 117.29 33.76 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.93 0.892 . . . . 0.0 109.973 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -95.14 112.97 24.61 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 61.3 mt -102.19 119.51 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.445 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.53 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 50.7 p90 -137.17 178.12 7.33 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -122.16 154.2 37.74 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 163.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.37 161.52 23.75 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -53.76 -35.75 61.6 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.695 0.798 . . . . 0.0 110.545 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.69 0.53 0.2 Allowed 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 173.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.51 21.47 69.44 Favored Glycine 0 C--N 1.361 1.96 0 C-N-CA 124.984 1.278 . . . . 0.0 112.901 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.453 ' O ' ' HD2' ' B' ' 15' ' ' ARG . 24.2 mm-40 -104.64 103.19 12.8 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.661 0.384 . . . . 0.0 110.956 -167.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -60.96 135.75 57.88 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 177.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.453 ' HD2' ' O ' ' B' ' 13' ' ' GLU . 2.1 mpt_? -156.0 140.57 16.89 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.924 1.69 . . . . 0.0 107.997 174.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -109.47 172.63 6.74 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-O 121.404 0.621 . . . . 0.0 109.681 168.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -148.52 167.48 25.26 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.04 -1.436 . . . . 0.0 110.427 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.501 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 12.7 t80 -118.44 133.16 56.1 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 173.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -101.16 -178.21 3.68 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.48 -173.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' B' ' 24' ' ' GLU . . . -133.96 159.36 40.96 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.67 1.188 . . . . 0.0 108.277 175.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 65.6 p -42.52 -43.84 3.87 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -90.96 -3.14 57.52 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.692 0.397 . . . . 0.0 111.326 -174.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.36 21.65 8.7 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 114.777 0.671 . . . . 0.0 114.777 176.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.476 ' HB2' ' HB2' ' B' ' 20' ' ' ALA . 12.4 mp0 -80.33 163.58 23.8 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.952 0.501 . . . . 0.0 109.683 177.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 29.5 m -130.2 144.82 51.59 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 171.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.501 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.6 ppp? -127.13 -21.72 3.89 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.319 0.648 . . . . 0.0 112.113 -173.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.674 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 3.2 p90 -149.81 157.33 43.09 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 120.492 0.186 . . . . 0.0 110.959 167.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t -167.7 179.56 4.76 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 124.961 1.413 . . . . 0.0 110.329 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.441 ' HA ' ' HG2' ' B' ' 15' ' ' ARG . 25.2 p 94.78 19.57 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 125.763 1.625 . . . . 0.0 113.517 156.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.735 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -103.95 -94.25 0.33 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 124.504 1.121 . . . . 0.0 109.757 175.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.76 -19.49 44.78 Favored Glycine 0 C--N 1.356 1.652 0 C-N-CA 123.936 0.779 . . . . 0.0 111.785 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.5 t80 78.6 -56.95 0.45 Allowed 'General case' 0 C--N 1.354 0.795 0 C-N-CA 126.987 2.115 . . . . 0.0 111.111 172.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -159.57 -55.74 0.06 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.907 0.883 . . . . 0.0 109.55 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.63 -176.98 5.27 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.451 1.101 . . . . 0.0 108.077 -176.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.464 ' HE2' HG23 ' A' ' 61' ' ' THR . 0.0 OUTLIER -69.38 -40.1 77.62 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.837 0.744 . . . . 0.0 110.056 -179.436 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.1 -46.07 89.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.983 0.513 . . . . 0.0 110.557 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 18.8 m -66.31 -27.43 67.91 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.827 0.851 . . . . 0.0 110.882 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.26 -51.13 32.85 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.97 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.415 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 3.6 mp -54.35 -52.69 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.846 0.748 . . . . 0.0 109.878 175.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -58.21 -40.78 82.48 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.845 0.858 . . . . 0.0 110.908 -176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -57.52 -56.07 26.64 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.407 HD12 HD11 ' B' ' 6' ' ' ILE . 77.7 mt -57.74 -24.28 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 123.804 0.842 . . . . 0.0 112.306 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' B' ' 39' ' ' ILE . 22.9 mm-40 -70.86 -26.41 63.25 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.831 -0.543 . . . . 0.0 110.356 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.454 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 27.1 m -53.95 -38.61 65.13 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 123.356 0.41 . . . . 0.0 111.8 164.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.495 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.1 mm -69.0 -39.33 79.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.599 ' HD2' ' N ' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -70.17 -15.67 62.98 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.877 0.871 . . . . 0.0 112.355 179.603 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -63.67 -60.92 2.7 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.907 0.755 . . . . 0.0 110.981 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -172.77 19.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.449 0.468 . . . . 0.0 111.191 -173.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.495 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 21.9 t -65.01 -31.79 73.2 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.736 -0.602 . . . . 0.0 112.558 -175.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.0 -28.78 69.81 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 122.577 0.351 . . . . 0.0 111.538 171.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.69 0.82 56.7 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-O 119.487 -0.618 . . . . 0.0 113.648 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.14 166.79 20.71 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 117.415 0.608 . . . . 0.0 110.936 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -97.37 163.56 12.83 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 31.4 m -115.21 100.09 7.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.96 0.904 . . . . 0.0 109.582 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 20.9 t -106.36 125.91 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.584 0.753 . . . . 0.0 109.53 -177.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.66 109.73 22.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.02 0.528 . . . . 0.0 109.747 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 64.0 mt -76.29 -20.18 57.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.796 0.838 . . . . 0.0 112.657 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.603 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.2 t -93.27 15.88 14.49 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-O 121.134 0.492 . . . . 0.0 111.367 -171.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.9 p -89.04 -24.08 22.42 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 165.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 80.0 mtp -109.33 -179.99 3.99 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 124.431 1.092 . . . . 0.0 109.278 175.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 35.0 p -99.2 -44.72 6.15 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.328 172.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 C-N-CA 123.777 0.831 . . . . 0.0 109.425 -178.824 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.1 ttm . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.52 149.12 49.28 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.33 0.586 . . . . 0.0 110.979 171.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.23 175.37 9.32 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.051 -171.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -100.83 108.08 19.78 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.358 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -93.51 110.07 21.66 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.1 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mt -101.19 118.64 48.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -175.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.587 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 45.1 p90 -137.89 -177.56 4.87 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.509 HE21 ' HA2' ' A' ' 12' ' ' GLY . 10.9 pt20 -127.19 156.29 42.06 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 166.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.452 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 33.0 t70 -84.95 161.35 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -48.84 -34.5 12.62 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.784 1.234 . . . . 0.0 112.953 175.594 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.468 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -73.1 9.76 1.13 Allowed 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 124.287 1.035 . . . . 0.0 112.744 175.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.509 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 74.87 16.32 80.49 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 124.657 1.123 . . . . 0.0 113.041 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 41.8 mt-10 -89.48 96.4 10.69 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 116.707 0.254 . . . . 0.0 111.048 -167.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.41 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 84.3 m-85 -55.6 113.9 1.64 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.564 0.697 . . . . 0.0 111.809 175.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -136.2 135.99 39.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 113.246 -1.797 . . . . 0.0 107.619 -178.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -123.38 169.7 11.08 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.098 0.475 . . . . 0.0 109.746 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -140.72 172.17 13.07 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.815 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -126.32 140.5 52.46 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 167.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -98.68 -177.58 3.71 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.152 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.86 160.27 31.43 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.849 1.259 . . . . 0.0 107.776 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -50.69 -29.18 10.57 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.482 1.113 . . . . 0.0 113.904 177.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -89.21 7.34 35.86 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.406 0.682 . . . . 0.0 111.541 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.47 32.37 47.32 Favored Glycine 0 C--N 1.346 1.087 0 C-N-CA 123.054 0.359 . . . . 0.0 113.051 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -107.13 125.23 50.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.523 0.729 . . . . 0.0 109.939 -174.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -78.6 133.54 37.28 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 170.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.448 ' HE1' ' HB3' ' B' ' 41' ' ' ALA . 1.3 ppp? -116.13 -18.9 10.49 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.855 -174.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.575 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 0.1 OUTLIER -163.51 168.76 19.73 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.575 0.35 . . . . 0.0 111.602 162.659 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.9 t -176.26 -176.42 0.78 Allowed 'General case' 0 N--CA 1.471 0.601 0 O-C-N 125.013 1.446 . . . . 0.0 111.739 -170.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 m 92.99 -7.03 0.16 Allowed 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.371 1.068 . . . . 0.0 112.947 156.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.528 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 10.5 tp10 -79.99 -88.59 0.07 Allowed 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 176.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 92.74 -16.54 59.99 Favored Glycine 0 N--CA 1.477 1.374 0 CA-C-O 119.947 -0.363 . . . . 0.0 112.405 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.528 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 69.2 t80 75.63 -65.22 0.33 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.548 1.939 . . . . 0.0 111.254 176.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -150.51 -58.22 0.18 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.486 0.715 . . . . 0.0 109.851 -177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.54 -176.41 5.23 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 59.7 pttt -70.0 -41.51 74.27 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.185 0.902 . . . . 0.0 111.587 -176.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.83 87.02 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.826 0.451 . . . . 0.0 110.586 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 m -66.85 -24.46 66.15 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.143 176.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 35' ' ' LYS . . . -68.72 -43.98 74.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.568 0.747 . . . . 0.0 110.336 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.451 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.6 mp -55.69 -48.39 77.9 Favored 'Isoleucine or valine' 0 C--N 1.368 1.373 0 CA-C-O 119.179 -0.438 . . . . 0.0 110.262 172.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -56.72 -41.25 77.13 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.11 0.564 . . . . 0.0 111.274 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' HB3' ' HE3' ' B' ' 26' ' ' MET . . . -56.9 -55.98 27.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.919 171.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -58.33 -27.56 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.783 0.833 . . . . 0.0 112.167 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 48.4 mt-10 -67.19 -29.51 69.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.671 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -56.97 -40.56 76.75 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.536 0.523 . . . . 0.0 111.589 168.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.473 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 4.3 mm -68.45 -44.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.106 -174.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 46' ' ' LYS . 9.5 mmmm -58.41 -23.24 56.7 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 114.707 -1.133 . . . . 0.0 113.769 -176.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -66.03 -55.67 15.47 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.2 0.937 . . . . 0.0 111.861 -175.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -175.75 18.85 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 123.525 0.516 . . . . 0.0 111.518 -168.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.473 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.7 t -64.24 -32.71 74.41 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -176.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.23 -25.72 67.97 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.74 0.416 . . . . 0.0 111.924 171.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.07 -0.49 51.42 Favored Glycine 0 C--N 1.35 1.356 0 N-CA-C 114.507 0.563 . . . . 0.0 114.507 173.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.87 170.55 5.28 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.544 0.738 . . . . 0.0 111.887 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -97.33 160.3 14.41 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 121.999 -0.438 . . . . 0.0 110.221 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.419 HG21 HD12 ' B' ' 42' ' ' ILE . 25.2 m -114.8 99.07 7.22 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.427 0.691 . . . . 0.0 109.322 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 t -100.03 132.04 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.574 1.149 . . . . 0.0 109.915 -176.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -110.11 110.41 21.29 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.513 0.725 . . . . 0.0 109.563 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.23 -17.13 29.67 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.828 1.251 . . . . 0.0 112.893 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.63 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 15.3 t -97.52 -1.92 42.99 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 118.328 -0.844 . . . . 0.0 111.971 -170.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 m -27.95 85.7 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.125 0 O-C-N 125.798 1.936 . . . . 0.0 113.557 -165.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.0 ttt -82.34 84.53 7.1 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 113.742 -1.572 . . . . 0.0 110.119 -163.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.2 m -145.23 -20.65 0.49 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.976 1.311 . . . . 0.0 109.983 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.22 0 C-N-CA 123.659 0.783 . . . . 0.0 109.968 -174.481 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.67 138.68 57.6 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.331 0.586 . . . . 0.0 110.831 167.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.54 174.89 12.03 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 124.949 1.3 . . . . 0.0 109.856 -171.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.526 ' HZ ' HG22 ' B' ' 45' ' ' ILE . 90.5 m-85 -100.71 107.91 19.64 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.187 0.995 . . . . 0.0 109.458 -177.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -93.53 110.34 21.93 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -101.31 118.31 47.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.63 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 37.1 p90 -137.59 -177.74 4.93 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -127.42 156.05 42.68 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 166.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.46 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 23.0 t70 -84.64 161.99 19.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -49.68 -35.53 21.9 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.312 1.445 . . . . 0.0 112.063 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.38 9.48 0.79 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.071 0.948 . . . . 0.0 112.837 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.86 16.76 79.26 Favored Glycine 0 C--N 1.346 1.087 0 C-N-CA 124.986 1.279 . . . . 0.0 112.803 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.46 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 22.7 mm-40 -88.3 95.65 10.27 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.001 0.52 . . . . 0.0 111.038 -168.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -55.26 114.04 1.63 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.464 0.65 . . . . 0.0 111.865 174.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -136.88 135.74 38.09 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 125.973 1.709 . . . . 0.0 107.869 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -123.53 169.77 11.08 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.158 0.504 . . . . 0.0 109.746 172.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -141.05 172.46 12.65 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.905 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -126.33 140.34 52.59 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 167.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -97.93 -177.61 3.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.836 -1.074 . . . . 0.0 111.316 -176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.25 159.88 33.0 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.744 1.217 . . . . 0.0 107.769 173.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.2 p -50.76 -28.74 9.83 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.0 7.03 36.86 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.731 0.812 . . . . 0.0 111.265 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.12 33.96 43.27 Favored Glycine 0 C--N 1.347 1.173 0 C-N-CA 123.052 0.358 . . . . 0.0 112.744 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -109.12 124.8 51.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.599 0.76 . . . . 0.0 109.725 -174.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -78.09 134.29 37.74 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 171.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.433 ' HE3' ' HB3' ' A' ' 41' ' ' ALA . 1.4 ppp? -116.88 -18.98 10.04 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.8 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.01 167.71 22.06 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.851 0.46 . . . . 0.0 111.898 162.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -174.76 -176.09 0.98 Allowed 'General case' 0 C--O 1.241 0.629 0 O-C-N 125.029 1.456 . . . . 0.0 111.563 -171.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t 93.14 -5.05 0.14 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.85 1.26 . . . . 0.0 113.465 156.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.575 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -81.58 -90.06 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.446 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.25 -16.22 61.1 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 112.302 -0.319 . . . . 0.0 112.302 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 32.2 t80 74.72 -65.59 0.34 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.551 1.94 . . . . 0.0 111.401 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -149.97 -58.6 0.19 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.709 0.804 . . . . 0.0 109.995 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.12 -175.93 5.02 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.428 1.091 . . . . 0.0 108.206 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -41.83 73.75 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.136 0.88 . . . . 0.0 110.993 -176.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.56 88.87 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.788 0.435 . . . . 0.0 110.53 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 66.5 m -66.27 -24.29 66.54 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.608 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.69 75.33 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.341 0.656 . . . . 0.0 110.376 176.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 mp -56.54 -47.86 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 118.212 0.46 . . . . 0.0 110.199 172.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -56.67 -41.21 76.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 123.543 0.527 . . . . 0.0 111.46 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.448 ' HB3' ' HE1' ' A' ' 26' ' ' MET . . . -56.7 -55.98 27.26 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.83 171.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.419 HD12 HG21 ' A' ' 54' ' ' THR . 64.0 mt -58.65 -27.39 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.434 0.694 . . . . 0.0 112.06 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.406 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 45.4 mt-10 -66.92 -29.41 69.28 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.819 0.448 . . . . 0.0 110.67 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.8 m -57.97 -40.09 79.74 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.658 0.599 . . . . 0.0 111.515 169.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.526 HG22 ' HZ ' ' B' ' 4' ' ' PHE . 4.5 mm -68.55 -44.51 82.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -174.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.4 mmmm -59.58 -23.37 62.88 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 114.722 -1.126 . . . . 0.0 113.215 -175.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -64.36 -55.82 18.55 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.322 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -176.28 18.55 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 122.986 0.514 . . . . 0.0 111.648 -167.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.466 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.4 t -64.97 -32.66 74.49 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 121.527 -0.733 . . . . 0.0 112.421 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.7 -24.9 67.9 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 122.799 0.44 . . . . 0.0 111.743 171.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.08 -1.08 51.48 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 114.504 0.562 . . . . 0.0 114.504 173.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.95 170.63 5.27 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.659 0.784 . . . . 0.0 111.745 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.92 160.58 14.21 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 122.014 -0.429 . . . . 0.0 110.395 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 26.3 m -114.97 99.32 7.37 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.545 0.738 . . . . 0.0 109.433 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.1 t -100.3 131.92 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.774 1.23 . . . . 0.0 109.709 -176.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -109.74 109.93 20.78 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.733 0.813 . . . . 0.0 109.724 176.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -89.02 -18.31 27.61 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.962 1.305 . . . . 0.0 112.883 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.587 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 7.8 t -80.54 16.94 1.2 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.954 0.407 . . . . 0.0 111.973 -172.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 64.0 p -74.69 -36.07 62.76 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 167.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 17.0 tpt -96.17 95.26 8.02 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.007 0.923 . . . . 0.0 109.226 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 21.8 p -136.09 118.22 15.46 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.418 1.087 . . . . 0.0 109.382 176.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.185 0 C-N-CA 123.97 0.908 . . . . 0.0 108.871 -177.461 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.464 ' SD ' ' ND2' ' B' ' 48' ' ' ASN . 51.8 ttm . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.558 0.218 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -67.4 165.77 15.88 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.545 0.738 . . . . 0.0 112.714 173.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.19 179.34 7.99 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.916 -167.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -100.51 124.9 46.67 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 124.189 0.996 . . . . 0.0 109.086 177.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -101.23 104.53 15.58 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.748 0.419 . . . . 0.0 110.381 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.5 mt -95.32 126.65 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.51 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 13.4 p90 -154.25 -174.02 4.8 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -127.31 164.39 21.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 165.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -113.33 176.19 5.13 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -39.14 -39.37 0.58 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 127.305 2.242 . . . . 0.0 114.245 -173.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.4 8.56 3.33 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.56 25.14 71.4 Favored Glycine 0 C--N 1.357 1.737 0 C-N-CA 124.1 0.857 . . . . 0.0 112.124 -174.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -98.6 123.88 43.05 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -172.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -83.0 128.03 34.1 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -173.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.19 137.46 30.83 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 114.421 -1.263 . . . . 0.0 108.88 176.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -106.96 161.12 15.01 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.233 0.54 . . . . 0.0 110.007 169.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HG3' ' HE1' ' A' ' 7' ' ' TYR . 59.0 mtp180 -113.71 164.9 13.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.136 1.374 . . . . 0.0 107.913 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.548 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 17.2 t80 -124.97 127.19 46.65 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 156.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -98.46 -179.4 4.32 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.155 -171.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.93 158.36 39.74 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.579 1.152 . . . . 0.0 108.636 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.8 p -46.03 -39.24 8.88 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -88.79 1.13 55.76 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.235 0.614 . . . . 0.0 111.57 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.18 23.38 32.27 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 123.235 0.445 . . . . 0.0 113.988 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -83.24 154.63 24.09 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 173.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.9 m -110.78 138.69 46.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 168.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.548 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.7 ppp? -115.62 -31.91 5.7 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.374 0.67 . . . . 0.0 111.003 -175.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.482 ' N ' ' SD ' ' A' ' 26' ' ' MET . 1.3 p90 -143.69 159.77 41.89 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.526 0.679 . . . . 0.0 109.491 165.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.3 p -170.53 -177.86 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.464 -1.698 . . . . 0.0 109.782 176.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t 68.3 39.05 2.37 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.223 0.609 . . . . 0.0 112.027 156.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -72.57 -33.07 66.51 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.729 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.67 52.47 42.49 Favored Glycine 0 C--N 1.359 1.827 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -71.08 -65.94 0.68 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.403 0.281 . . . . 0.0 110.391 -162.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -167.73 -71.05 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.035 0.445 . . . . 0.0 110.381 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.17 179.78 6.43 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.78 0.832 . . . . 0.0 109.727 -172.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' NZ ' HG23 ' B' ' 58' ' ' THR . 17.7 ttmm -65.59 -50.4 65.24 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.459 0.572 . . . . 0.0 111.004 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.31 81.32 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.898 0.479 . . . . 0.0 111.018 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.4 m -66.22 -35.62 80.92 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.794 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.32 77.43 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 123.709 0.804 . . . . 0.0 110.788 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -56.06 -48.2 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.271 0.628 . . . . 0.0 111.58 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -59.04 -38.54 79.57 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 123.528 0.518 . . . . 0.0 111.183 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.494 ' HB1' ' HE2' ' B' ' 26' ' ' MET . . . -59.17 -57.45 12.99 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.008 172.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.17 -26.59 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.032 0.533 . . . . 0.0 111.707 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 36.6 mt-10 -64.86 -34.28 78.01 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-O 119.047 -0.501 . . . . 0.0 110.14 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 33.5 m -53.33 -40.3 64.75 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 124.103 0.877 . . . . 0.0 111.749 171.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.576 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.5 mm -67.45 -44.34 86.9 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -175.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.523 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 8.4 mmmm -61.66 -29.44 70.07 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.206 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.9 mmt180 -62.49 -52.8 62.05 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 124.256 0.972 . . . . 0.0 112.226 -174.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -171.99 15.74 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -168.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.576 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 17.4 t -67.58 -36.12 80.31 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.513 -0.742 . . . . 0.0 112.992 -172.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.05 -27.88 69.21 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 122.507 0.323 . . . . 0.0 111.598 173.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.69 -3.34 56.19 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-O 119.457 -0.635 . . . . 0.0 113.953 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.44 164.83 15.51 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.771 0.829 . . . . 0.0 111.376 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -90.53 157.13 17.69 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.484 0.313 . . . . 0.0 110.359 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 m -115.08 99.77 7.68 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.673 0.789 . . . . 0.0 109.67 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 81.3 t -104.13 130.6 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.026 1.33 . . . . 0.0 110.426 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.512 ' HB3' ' HG2' ' A' ' 60' ' ' MET . 16.9 t70 -109.65 123.19 49.04 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.283 0.563 . . . . 0.0 111.068 174.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -94.67 -21.83 18.54 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.827 1.251 . . . . 0.0 113.008 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.564 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 13.1 t -88.99 -15.55 33.9 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 119.239 0.927 . . . . 0.0 112.805 -167.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.5 p -145.13 -92.58 0.1 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 118.241 -0.885 . . . . 0.0 109.533 -173.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.512 ' HG2' ' HB3' ' A' ' 56' ' ' ASP . 15.9 mmt 44.28 -84.95 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 125.098 1.359 . . . . 0.0 114.196 -176.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.9 p -68.02 122.58 18.54 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 123.965 0.906 . . . . 0.0 111.713 -170.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 C-N-CA 123.59 0.756 . . . . 0.0 110.212 177.563 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.0 ttm . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -151.24 170.92 18.31 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.455 0.702 . . . . 0.0 111.284 174.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -165.31 179.44 6.23 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.672 -167.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.414 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 96.2 m-85 -100.21 124.6 45.84 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.453 1.101 . . . . 0.0 109.063 177.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -101.14 104.49 15.58 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.097 0.559 . . . . 0.0 110.203 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 14.4 mt -95.92 126.64 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.596 ' HE1' ' HG3' ' B' ' 17' ' ' ARG . 47.4 p90 -153.96 -174.37 4.93 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.125 0.488 . . . . 0.0 109.771 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -126.79 164.16 21.98 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 164.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.75 177.93 4.49 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -41.13 -38.95 1.15 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 127.03 2.132 . . . . 0.0 113.827 -174.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.58 7.66 4.32 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.436 0.694 . . . . 0.0 112.793 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.64 25.32 72.83 Favored Glycine 0 C--N 1.355 1.604 0 C-N-CA 124.022 0.82 . . . . 0.0 112.471 -174.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -100.72 112.77 25.24 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -66.64 125.36 25.56 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.601 ' HB3' ' HA ' ' B' ' 29' ' ' SER . 0.7 OUTLIER -140.46 137.28 33.78 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.715 176.393 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -107.27 161.36 14.86 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 120.998 0.427 . . . . 0.0 110.157 167.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.596 ' HG3' ' HE1' ' B' ' 7' ' ' TYR . 60.7 mtt180 -113.5 165.39 12.53 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.933 1.293 . . . . 0.0 108.463 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.542 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.8 t80 -125.25 127.28 46.48 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 157.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -98.45 -179.16 4.25 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.336 -171.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.15 158.46 39.62 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.601 -1.182 . . . . 0.0 108.43 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.1 m -46.47 -38.72 9.58 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 124.94 1.296 . . . . 0.0 114.479 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.407 HD22 ' HG2' ' B' ' 24' ' ' GLU . 1.4 p-10 -90.28 1.78 56.15 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 122.704 0.401 . . . . 0.0 111.791 -176.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.39 22.03 33.12 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 114.189 0.436 . . . . 0.0 114.189 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.407 ' HG2' HD22 ' B' ' 22' ' ' ASN . 50.8 mm-40 -83.0 154.51 24.43 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.71 0.404 . . . . 0.0 110.115 172.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 34.1 m -110.35 138.03 47.28 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 168.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.542 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.8 ppp? -114.88 -31.85 5.97 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.159 0.584 . . . . 0.0 111.079 -175.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.466 ' N ' ' SD ' ' B' ' 26' ' ' MET . 1.3 p90 -143.75 159.67 42.09 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.416 0.627 . . . . 0.0 109.523 165.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.5 p -170.3 -177.7 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 113.504 -1.68 . . . . 0.0 109.745 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.601 ' HA ' ' HB3' ' B' ' 15' ' ' ARG . 17.4 m 67.8 38.72 2.83 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.177 155.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.22 -32.72 67.0 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.653 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.61 51.94 47.4 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -70.86 -65.82 0.69 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 122.346 0.259 . . . . 0.0 110.371 -162.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -167.73 -71.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.593 0.357 . . . . 0.0 110.603 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -139.62 179.75 6.38 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.617 0.767 . . . . 0.0 109.597 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -64.15 -51.42 63.96 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.317 0.647 . . . . 0.0 111.234 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.67 81.34 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.28 0.632 . . . . 0.0 110.964 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 13.6 m -66.95 -35.71 80.58 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.533 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.47 80.41 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.526 0.731 . . . . 0.0 110.692 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.51 -47.82 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.369 0.668 . . . . 0.0 111.33 174.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -58.34 -39.14 78.67 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 123.598 0.561 . . . . 0.0 111.288 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.491 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -58.88 -57.89 11.04 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.956 172.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.417 HG23 ' HD3' ' B' ' 46' ' ' LYS . 63.8 mt -56.39 -27.44 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.358 0.663 . . . . 0.0 111.653 178.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.483 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 41.8 mt-10 -64.21 -34.74 78.79 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 118.866 -0.587 . . . . 0.0 109.869 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 16.5 m -53.2 -40.16 64.23 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 124.06 0.85 . . . . 0.0 111.773 171.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.571 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.7 mm -67.45 -44.24 86.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -175.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.6 mmmm -62.81 -28.64 70.14 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.812 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 32.7 mmt180 -62.27 -53.38 55.98 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.924 0.765 . . . . 0.0 111.714 -174.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.464 ' ND2' ' SD ' ' A' ' 1' ' ' MET . 5.2 t30 -171.51 15.53 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -168.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.571 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 12.7 t -67.24 -35.77 80.24 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.328 -0.857 . . . . 0.0 113.016 -172.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.24 -27.63 69.13 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 122.582 0.353 . . . . 0.0 111.785 173.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.96 -3.76 55.76 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-O 119.606 -0.552 . . . . 0.0 113.871 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.41 165.05 15.0 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.714 0.806 . . . . 0.0 111.402 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.43 157.87 16.82 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 39.2 m -115.5 100.17 7.88 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.643 0.777 . . . . 0.0 109.417 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 87.2 t -104.18 130.72 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.801 1.241 . . . . 0.0 110.414 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -109.19 122.03 46.43 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.542 0.737 . . . . 0.0 110.755 174.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -94.34 -21.71 18.81 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.892 1.277 . . . . 0.0 112.852 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.51 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 10.3 t -85.92 -4.43 59.16 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 118.412 0.551 . . . . 0.0 111.525 -170.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 47.0 p 33.31 -77.72 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 127.084 2.154 . . . . 0.0 115.083 -177.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -67.26 164.38 18.44 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.193 0.597 . . . . 0.0 111.003 175.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 44.0 p -109.48 145.66 35.86 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.37 0.668 . . . . 0.0 110.17 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 C-N-CA 123.67 0.788 . . . . 0.0 109.183 178.384 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.52 167.95 9.95 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.311 0.577 . . . . 0.0 111.681 171.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -162.88 178.38 8.45 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.216 -170.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.403 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 91.2 m-85 -99.09 121.73 41.37 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 114.821 -1.082 . . . . 0.0 108.84 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -95.93 110.84 22.98 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mt -100.99 121.99 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.615 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 35.2 p90 -143.07 -178.42 5.83 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.122 0.486 . . . . 0.0 109.766 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 10.7 pt20 -121.84 150.0 42.55 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.21 -1.034 . . . . 0.0 108.21 166.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -84.06 161.02 20.83 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 177.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -52.93 -35.42 58.47 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.608 1.163 . . . . 0.0 111.829 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.17 6.37 0.56 Allowed 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 123.71 0.804 . . . . 0.0 113.011 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.42 17.5 77.76 Favored Glycine 0 C--N 1.349 1.277 0 C-N-CA 125.061 1.315 . . . . 0.0 113.195 -176.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 41.0 mt-10 -96.49 98.7 10.44 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -170.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 96.0 m-85 -51.19 114.47 1.21 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.701 0.8 . . . . 0.0 112.695 176.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 17.6 mmt180 -128.53 134.5 48.68 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 113.308 -1.769 . . . . 0.0 108.379 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -118.93 164.75 14.99 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.125 0.488 . . . . 0.0 109.917 170.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -142.21 170.73 15.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.398 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.515 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.6 t80 -124.79 135.02 52.59 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 173.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -101.47 -178.92 3.87 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.444 -173.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.78 154.95 47.46 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.012 -1.449 . . . . 0.0 107.85 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.6 p -47.75 -25.29 1.19 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -99.95 11.79 38.41 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.189 0.596 . . . . 0.0 111.658 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.44 16.79 72.83 Favored Glycine 0 N--CA 1.471 1.023 0 N-CA-C 114.616 0.606 . . . . 0.0 114.616 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -85.03 152.18 23.62 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.896 0.478 . . . . 0.0 110.228 175.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.5 m -108.39 147.1 32.05 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.439 0.696 . . . . 0.0 109.384 172.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.515 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 2.0 ppp? -122.02 -32.23 3.75 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.814 0.846 . . . . 0.0 112.058 -176.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.446 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 2.1 p90 -142.29 155.44 45.21 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 167.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -154.24 176.88 11.75 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.67 1.188 . . . . 0.0 110.241 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.447 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 49.7 m 62.36 49.29 4.26 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 150.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' OE2' ' HA ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -68.26 -42.75 79.19 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.195 170.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.37 53.9 36.04 Favored Glycine 0 C--N 1.354 1.574 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -75.07 -59.33 2.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.426 0.29 . . . . 0.0 110.225 -166.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -167.01 -65.04 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 120.838 0.351 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.04 179.15 8.73 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.574 0.75 . . . . 0.0 109.457 -171.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -43.45 75.39 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.729 0.412 . . . . 0.0 110.659 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.8 -42.31 79.28 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.336 0.589 . . . . 0.0 110.311 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 m -69.84 -29.22 66.43 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.788 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.86 63.5 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 123.633 0.773 . . . . 0.0 110.47 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -55.48 -50.7 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.255 0.622 . . . . 0.0 110.668 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -57.78 -39.85 78.43 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 123.633 0.583 . . . . 0.0 111.746 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB2' ' HE2' ' B' ' 26' ' ' MET . . . -58.46 -57.34 13.39 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.736 172.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.91 -26.46 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.684 0.794 . . . . 0.0 111.959 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' HA ' ' HG2' ' A' ' 46' ' ' LYS . 42.4 mt-10 -66.56 -31.67 72.52 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 119.309 -0.377 . . . . 0.0 110.491 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 19.9 m -53.66 -39.56 65.17 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 123.52 0.512 . . . . 0.0 111.612 168.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.6 mm -71.02 -45.66 71.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.135 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.8 mmmm -59.06 -30.69 68.24 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.386 1.074 . . . . 0.0 112.254 -178.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -58.44 -69.42 0.19 Allowed 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.885 -1.507 . . . . 0.0 112.654 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -157.79 16.47 0.24 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -171.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.542 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 13.7 t -66.22 -32.62 74.15 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -172.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -60.66 -31.3 70.53 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.791 0.436 . . . . 0.0 111.944 171.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.28 -0.56 55.8 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-O 119.573 -0.57 . . . . 0.0 113.853 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.16 165.54 9.11 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.789 0.836 . . . . 0.0 111.453 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.555 ' HB2' ' HB3' ' B' ' 3' ' ' LYS . 6.2 m-20 -89.18 160.38 17.0 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.5 m -121.23 99.26 6.39 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 121.427 0.632 . . . . 0.0 109.837 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.6 t -100.43 127.07 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.061 1.344 . . . . 0.0 110.071 -175.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -108.09 122.5 47.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.563 0.745 . . . . 0.0 110.413 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -100.88 -14.09 18.09 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 124.823 1.249 . . . . 0.0 112.832 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.636 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.7 t -91.23 -10.06 42.97 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -170.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 p -70.71 -12.64 61.68 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 119.017 0.826 . . . . 0.0 111.861 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.503 ' HG3' HG21 ' A' ' 61' ' ' THR . 22.6 ptp -75.56 -30.24 59.64 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.17 0.588 . . . . 0.0 111.324 173.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.503 HG21 ' HG3' ' A' ' 60' ' ' MET . 37.3 p -97.44 -53.41 3.46 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.861 0.864 . . . . 0.0 110.591 -175.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 C-N-CA 124.272 1.029 . . . . 0.0 109.517 179.88 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.0 168.44 27.12 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.246 1.018 . . . . 0.0 109.465 175.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -164.37 178.52 7.42 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.979 -168.304 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.414 ' HZ ' HG23 ' B' ' 45' ' ' ILE . 95.5 m-85 -98.68 120.8 39.73 Favored 'General case' 0 C--O 1.228 -0.06 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.829 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -95.09 110.6 22.51 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 24.3 mt -100.49 122.4 52.41 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.636 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 39.6 p90 -142.76 -178.42 5.79 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.144 0.497 . . . . 0.0 109.819 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.487 ' HA ' ' HA ' ' B' ' 14' ' ' TYR . 11.0 pt20 -121.83 150.24 42.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 165.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.6 ' HB2' ' HD2' ' B' ' 15' ' ' ARG . 29.6 t70 -84.2 161.28 20.6 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 124.232 1.013 . . . . 0.0 108.567 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -34.32 58.8 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.471 1.108 . . . . 0.0 112.157 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.59 6.42 0.64 Allowed 'General case' 0 CA--C 1.566 1.581 0 C-N-CA 124.168 0.987 . . . . 0.0 113.132 172.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.43 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 72.23 17.49 77.46 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 124.82 1.2 . . . . 0.0 113.13 -176.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -96.7 99.0 10.62 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -170.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.487 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 93.2 m-85 -51.91 114.55 1.33 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.901 0.858 . . . . 0.0 112.753 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.6 ' HD2' ' HB2' ' B' ' 9' ' ' ASP . 93.7 mtt180 -129.69 134.34 47.59 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 113.314 -1.766 . . . . 0.0 109.283 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -118.59 164.17 15.72 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.483 0.658 . . . . 0.0 109.806 171.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -141.89 171.05 14.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.595 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.537 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.3 t80 -124.84 134.89 52.57 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 173.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -101.08 -179.2 3.97 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.372 -173.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.1 155.17 47.41 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.332 1.453 . . . . 0.0 107.77 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -48.24 -25.42 1.52 Allowed 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 -176.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -100.02 13.09 35.17 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.47 0.708 . . . . 0.0 112.447 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.44 16.72 75.31 Favored Glycine 0 N--CA 1.473 1.113 0 N-CA-C 114.324 0.49 . . . . 0.0 114.324 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -84.42 152.43 24.03 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.037 0.535 . . . . 0.0 110.479 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 53.2 m -108.8 147.47 32.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.502 0.721 . . . . 0.0 109.292 172.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.537 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.9 ppp? -122.45 -32.54 3.6 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.707 0.803 . . . . 0.0 111.721 -176.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.439 ' HD2' ' HE3' ' B' ' 26' ' ' MET . 2.0 p90 -141.7 155.98 45.64 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 167.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 66.9 p -155.32 176.76 12.16 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 124.685 1.241 . . . . 0.0 110.462 176.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.7 t 62.94 48.86 3.75 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 150.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.411 ' OE2' ' HA ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -67.68 -42.53 81.95 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.23 170.613 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.85 53.42 37.83 Favored Glycine 0 C--N 1.354 1.537 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -176.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -74.94 -59.13 2.87 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.624 0.37 . . . . 0.0 110.308 -166.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -167.34 -65.03 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.784 0.434 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.64 178.58 9.45 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.625 0.77 . . . . 0.0 109.647 -171.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -70.09 -41.13 74.46 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 118.189 0.449 . . . . 0.0 111.073 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.44 81.67 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.108 0.48 . . . . 0.0 110.433 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 m -69.43 -29.34 67.03 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.877 177.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.11 -48.94 64.07 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 123.739 0.816 . . . . 0.0 110.485 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -55.65 -50.65 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.056 0.542 . . . . 0.0 110.938 173.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -58.05 -39.81 79.37 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 123.708 0.63 . . . . 0.0 111.241 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.473 ' HB1' ' HE3' ' A' ' 26' ' ' MET . . . -58.31 -57.45 12.85 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.794 172.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.431 HG22 ' HD3' ' B' ' 46' ' ' LYS . 84.2 mt -56.75 -26.6 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.774 0.829 . . . . 0.0 111.837 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 39.5 mt-10 -66.22 -32.05 73.25 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-O 118.975 -0.536 . . . . 0.0 110.675 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 42.1 m -53.68 -39.37 65.07 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 123.943 0.777 . . . . 0.0 111.472 169.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.543 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.4 mm -70.95 -45.46 72.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.273 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.545 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.7 mmmm -59.99 -30.31 69.04 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.326 1.05 . . . . 0.0 111.69 -177.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 25.5 mmm180 -58.27 -70.29 0.15 Allowed 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 114.062 -1.427 . . . . 0.0 112.196 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -156.43 15.71 0.32 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 122.882 0.473 . . . . 0.0 111.931 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.543 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 12.4 t -66.5 -32.29 73.56 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -171.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -60.46 -31.54 70.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.885 0.474 . . . . 0.0 111.863 171.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.9 0.43 55.12 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-O 119.497 -0.613 . . . . 0.0 114.007 175.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.24 165.17 9.82 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.826 0.85 . . . . 0.0 111.336 176.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -89.58 161.02 16.38 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -121.07 99.08 6.29 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 121.242 0.544 . . . . 0.0 109.824 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 79.7 t -99.75 127.38 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.118 1.367 . . . . 0.0 110.183 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.4 ' O ' ' HE2' ' B' ' 60' ' ' MET . 12.2 t70 -108.15 122.2 46.41 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.465 0.706 . . . . 0.0 110.323 177.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -100.82 -16.45 17.28 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.698 1.199 . . . . 0.0 112.642 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.615 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.9 t -84.83 -14.8 46.9 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 118.624 0.647 . . . . 0.0 112.509 -170.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.45 HG23 HG21 ' B' ' 58' ' ' THR . 31.1 p -128.72 -22.74 3.23 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.832 0.453 . . . . 0.0 110.188 -177.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' MET . . . . . 0.4 ' HE2' ' O ' ' B' ' 56' ' ' ASP . 57.2 ttp -92.47 107.17 19.02 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 77.8 p 50.84 101.16 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.183 1.793 . . . . 0.0 113.562 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 C-N-CA 124.063 0.945 . . . . 0.0 108.971 -176.268 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttm . . . . . 0 N--CA 1.483 1.189 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.88 162.82 29.39 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.427 1.091 . . . . 0.0 109.517 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.449 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -162.77 175.28 11.45 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.789 -176.646 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -99.55 117.27 33.58 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.156 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -96.09 108.68 21.14 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 26.4 mt -99.72 122.82 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -176.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.553 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 50.1 p90 -138.45 -178.49 5.32 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 122.825 0.45 . . . . 0.0 109.959 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -127.05 152.74 46.87 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 167.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.578 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 27.3 t70 -100.23 179.81 4.36 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-O 118.591 -0.719 . . . . 0.0 109.632 -178.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -48.66 -36.8 16.8 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 125.639 1.576 . . . . 0.0 112.991 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.607 ' HB1' ' HG3' ' A' ' 13' ' ' GLU . . . -87.3 16.71 4.99 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.437 0.695 . . . . 0.0 111.224 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.26 21.71 77.31 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.442 -173.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.607 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 48.4 mt-10 -78.71 90.34 4.61 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.806 0.303 . . . . 0.0 110.643 -167.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -50.55 104.21 0.07 Allowed 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 122.639 1.209 . . . . 0.0 112.011 170.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -132.72 134.14 44.4 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 111.719 -2.491 . . . . 0.0 108.3 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -113.93 169.05 9.28 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.671 0.748 . . . . 0.0 109.95 171.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -142.04 169.54 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.175 -1.375 . . . . 0.0 110.109 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.434 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 23.1 t80 -126.84 140.89 52.02 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -95.68 -179.04 4.59 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.226 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.74 159.7 36.5 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.066 0.946 . . . . 0.0 108.682 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.3 m -55.37 -25.0 32.74 Favored 'General case' 0 CA--C 1.559 1.309 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -80.88 -12.82 59.35 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 123.325 0.65 . . . . 0.0 111.48 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.93 64.67 1.65 Allowed Glycine 0 C--N 1.341 0.853 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 -174.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -148.57 153.67 38.69 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.899 0.88 . . . . 0.0 109.066 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.9 m -89.85 136.12 33.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.413 0.625 . . . . 0.0 109.708 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.485 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 1.8 ppp? -115.92 -25.68 7.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 114.594 -1.184 . . . . 0.0 112.172 -174.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.418 ' HD2' ' HE3' ' A' ' 26' ' ' MET . 2.0 p90 -147.8 160.79 42.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 167.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.4 ' H ' ' HB3' ' B' ' 30' ' ' GLU . 67.8 p -166.26 -178.74 4.7 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.954 1.409 . . . . 0.0 110.123 177.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.2 m 62.85 35.03 13.9 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.004 0.922 . . . . 0.0 113.06 154.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HB3' ' H ' ' B' ' 28' ' ' SER . 0.0 OUTLIER -58.38 -42.04 86.15 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.954 165.838 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.2 53.1 42.32 Favored Glycine 0 C--N 1.359 1.815 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -72.84 -57.16 4.28 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.575 0.221 . . . . 0.0 111.33 -162.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -168.38 -75.56 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.646 0.379 . . . . 0.0 110.987 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.5 -177.91 6.24 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.9 0.88 . . . . 0.0 108.823 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.505 ' NZ ' HG22 ' B' ' 58' ' ' THR . 17.7 ttmm -62.97 -46.27 88.5 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.162 0.892 . . . . 0.0 111.479 -175.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.4 -44.92 72.76 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.543 0.737 . . . . 0.0 110.972 177.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.2 m -72.52 -25.85 61.54 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.388 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.25 -54.5 17.19 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 123.292 0.637 . . . . 0.0 109.834 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.82 -48.39 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.682 0.793 . . . . 0.0 110.758 172.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -59.23 -42.0 90.02 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.344 0.658 . . . . 0.0 111.816 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.479 ' HB2' ' HE3' ' B' ' 26' ' ' MET . . . -59.67 -53.14 61.43 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.416 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 90.6 mt -56.59 -28.46 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 C-N-CA 123.449 0.7 . . . . 0.0 111.675 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 10.4 mm-40 -64.79 -32.34 73.98 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 118.928 -0.558 . . . . 0.0 110.763 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 7.6 m -53.73 -40.46 66.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 123.698 0.624 . . . . 0.0 111.276 169.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.486 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 2.9 mm -70.95 -46.5 67.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -175.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.5 mmmm -60.45 -21.66 62.57 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.302 1.041 . . . . 0.0 113.327 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 39.4 mmt-85 -60.84 -71.78 0.13 Allowed 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.195 0.934 . . . . 0.0 111.408 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -162.67 22.59 0.1 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.316 0.646 . . . . 0.0 109.635 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.486 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 27.1 t -61.87 -27.94 69.15 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -173.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -61.57 -32.17 72.25 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 122.514 0.326 . . . . 0.0 111.479 170.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 2.63 58.25 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.626 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 49' ' ' SER . . . -63.45 178.37 0.56 Allowed 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.774 0.787 . . . . 0.0 111.876 174.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -107.17 157.33 17.95 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.929 0.492 . . . . 0.0 109.724 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 m -119.66 110.63 17.07 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.391 0.676 . . . . 0.0 109.903 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -110.09 130.84 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.002 1.321 . . . . 0.0 110.1 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.427 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 11.7 t70 -107.82 112.74 25.53 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 122.805 0.442 . . . . 0.0 110.449 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.29 -22.19 28.68 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.025 1.33 . . . . 0.0 112.47 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.593 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 11.6 t -92.54 8.84 37.08 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.015 0.436 . . . . 0.0 112.171 -171.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -78.57 -23.25 46.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.968 0.507 . . . . 0.0 110.056 169.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.9 ttt -73.91 -47.02 40.84 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.507 0.504 . . . . 0.0 110.048 173.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.4 p -78.79 156.0 28.99 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.197 0.599 . . . . 0.0 110.637 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.438 ' O ' ' HA ' ' B' ' 21' ' ' SER . 42.1 ttm . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.33 171.32 7.93 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.422 1.089 . . . . 0.0 110.112 -179.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.68 176.1 7.44 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.339 0.656 . . . . 0.0 111.232 -178.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -99.59 117.39 33.86 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.3 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -95.93 107.9 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.427 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 29.9 mt -99.49 123.04 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -176.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.593 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 44.6 p90 -138.79 -179.2 5.68 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 122.859 0.464 . . . . 0.0 109.978 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.453 HE21 ' HA2' ' B' ' 12' ' ' GLY . 13.9 pt20 -126.7 152.19 47.12 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 167.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -100.36 -179.36 4.09 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.724 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -36.52 14.14 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 125.443 1.497 . . . . 0.0 113.462 -175.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.633 ' HB1' ' HG3' ' B' ' 13' ' ' GLU . . . -89.15 17.45 5.92 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.849 -177.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.453 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 69.66 22.46 76.73 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.654 -173.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.633 ' HG3' ' HB1' ' B' ' 11' ' ' ALA . 42.2 mt-10 -78.78 93.12 4.91 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.422 0.289 . . . . 0.0 110.663 -167.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -54.63 105.09 0.13 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 122.489 1.138 . . . . 0.0 112.024 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -132.85 134.13 44.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 112.142 -2.299 . . . . 0.0 108.226 -176.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -113.96 168.82 9.48 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-O 121.657 0.742 . . . . 0.0 110.048 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -141.37 169.77 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.098 -1.41 . . . . 0.0 110.093 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.453 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 24.0 t80 -126.9 140.76 52.1 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 173.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -95.53 -179.42 4.75 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.284 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.78 159.78 36.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.899 0.88 . . . . 0.0 108.678 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' B' ' 1' ' ' MET . 19.1 m -55.47 -24.66 32.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -81.91 -11.52 58.86 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.037 0.535 . . . . 0.0 111.747 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.51 65.31 1.68 Allowed Glycine 0 C--N 1.342 0.869 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.943 -174.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -146.46 155.58 42.65 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 172.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.9 m -90.75 136.77 32.85 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.367 0.603 . . . . 0.0 109.757 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.479 ' HE3' ' HB2' ' A' ' 41' ' ' ALA . 1.8 ppp? -116.24 -26.24 7.27 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.061 -174.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.427 ' HD2' ' HE1' ' B' ' 26' ' ' MET . 1.8 p90 -147.18 160.9 41.9 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 167.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.421 ' H ' ' HB3' ' A' ' 30' ' ' GLU . 88.5 p -165.85 -177.96 4.53 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.918 1.386 . . . . 0.0 110.127 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 91.5 p 62.21 35.06 15.69 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.176 0.991 . . . . 0.0 113.125 153.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.4 ' HB3' ' H ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -58.9 -41.65 87.74 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.935 166.147 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.33 53.38 39.83 Favored Glycine 0 C--N 1.359 1.861 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -73.21 -56.66 4.79 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 122.147 0.179 . . . . 0.0 111.33 -162.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -168.85 -75.31 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.653 0.381 . . . . 0.0 110.918 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.07 -177.76 6.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.047 0.939 . . . . 0.0 108.968 -175.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -45.11 93.5 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.209 0.913 . . . . 0.0 111.416 -175.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.55 81.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.208 0.603 . . . . 0.0 110.638 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 51.0 m -71.62 -26.2 62.47 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.439 0.695 . . . . 0.0 111.518 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.25 -54.75 15.47 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.144 0.578 . . . . 0.0 109.773 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.465 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.2 mp -53.07 -48.67 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.766 0.826 . . . . 0.0 110.745 172.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -60.2 -41.08 92.24 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.416 0.686 . . . . 0.0 112.127 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.485 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -59.83 -53.42 58.19 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 89.6 mt -56.04 -28.39 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 123.416 0.686 . . . . 0.0 111.743 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 50.1 mt-10 -65.62 -31.79 73.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 119.456 -0.307 . . . . 0.0 110.502 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 32.0 m -54.06 -40.1 66.84 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 120.947 0.403 . . . . 0.0 111.06 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.488 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 2.6 mm -71.1 -46.46 66.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.736 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.0 mmmm -61.56 -20.89 63.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.081 0.952 . . . . 0.0 112.885 -176.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 15.8 mmm180 -60.38 -72.17 0.12 Allowed 'General case' 0 CA--C 1.549 0.941 0 O-C-N 124.142 0.901 . . . . 0.0 111.393 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -162.85 22.94 0.09 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.628 0.771 . . . . 0.0 109.413 -174.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.1 t -61.5 -28.16 69.11 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -174.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -61.18 -32.52 72.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.668 0.387 . . . . 0.0 111.431 170.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.87 2.65 58.44 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 113.723 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.418 ' HB3' ' HA ' ' B' ' 49' ' ' SER . . . -63.34 178.01 0.59 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.629 0.771 . . . . 0.0 111.988 174.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.449 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 37.2 t70 -106.77 157.14 17.96 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.751 0.42 . . . . 0.0 110.013 177.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -119.09 110.59 17.25 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.236 0.614 . . . . 0.0 109.89 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -110.09 131.04 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 124.809 1.244 . . . . 0.0 110.29 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.41 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 18.6 t70 -107.4 112.18 24.86 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.223 0.609 . . . . 0.0 110.517 176.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 48.2 mt -85.19 -24.4 27.91 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.744 1.218 . . . . 0.0 113.134 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.553 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 7.3 t -83.5 7.87 15.73 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 118.393 0.542 . . . . 0.0 112.212 -169.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -19.73 62.73 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 123.243 0.617 . . . . 0.0 111.314 174.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 17.6 ptt? -98.75 78.89 2.37 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.899 0.879 . . . . 0.0 109.643 170.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 16.7 p -79.68 -58.3 3.25 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.077 0.551 . . . . 0.0 110.785 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.511 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -67.4 151.57 47.19 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 123.117 0.567 . . . . 0.0 110.655 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.92 176.43 10.18 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.35 -161.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.423 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 74.4 m-85 -103.1 113.68 27.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.678 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -95.45 109.29 21.5 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -98.86 117.55 44.1 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.529 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.6 p90 -135.93 179.35 6.4 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.56 0.695 . . . . 0.0 109.489 178.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -123.44 147.17 47.41 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 165.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.61 161.72 23.38 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 124.505 1.122 . . . . 0.0 108.175 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -34.8 39.12 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 124.496 1.122 . . . . 0.0 111.733 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.46 5.74 0.54 Allowed 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.515 1.126 . . . . 0.0 113.34 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.54 28.56 73.12 Favored Glycine 0 C--N 1.351 1.373 0 C-N-CA 124.312 0.958 . . . . 0.0 112.592 -176.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -110.03 109.27 19.78 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.025 0.53 . . . . 0.0 110.793 -171.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.435 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 89.9 m-85 -59.17 119.52 7.49 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.81 136.41 38.8 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.023 1.329 . . . . 0.0 107.779 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -122.1 173.41 7.58 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-O 121.022 0.439 . . . . 0.0 109.834 168.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -144.34 169.61 17.59 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.24 -1.345 . . . . 0.0 110.499 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.437 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 18.0 t80 -122.14 134.36 54.74 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 168.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -100.24 -179.27 4.08 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.868 -172.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.564 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -126.64 177.95 6.21 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 171.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 p -71.99 -26.98 62.46 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 118.451 0.568 . . . . 0.0 111.008 -160.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -102.54 7.59 40.08 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.614 0.366 . . . . 0.0 111.643 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.27 17.97 20.72 Favored Glycine 0 C--N 1.349 1.299 0 N-CA-C 114.894 0.718 . . . . 0.0 114.894 175.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 15.5 mp0 -78.64 156.0 29.27 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 m -121.42 135.33 55.07 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 171.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.482 ' HE3' ' HB1' ' B' ' 41' ' ' ALA . 1.5 ppp? -113.25 -18.23 12.14 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.472 -0.785 . . . . 0.0 112.0 -175.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.634 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 0.1 OUTLIER -164.46 167.37 19.59 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 162.374 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 p -174.3 -175.81 1.03 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.979 1.424 . . . . 0.0 111.679 -168.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.7 m 89.43 5.53 0.14 Allowed 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 156.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.654 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 8.2 tp10 -97.0 -84.36 0.37 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 92.13 -12.36 69.79 Favored Glycine 0 C--N 1.354 1.544 0 CA-C-O 120.055 -0.303 . . . . 0.0 112.704 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.654 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 15.2 t80 75.65 -65.98 0.3 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.394 1.877 . . . . 0.0 111.32 175.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -154.21 -61.35 0.13 Allowed 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.255 0.55 . . . . 0.0 109.89 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -139.43 -174.78 3.97 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.934 1.294 . . . . 0.0 108.753 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -68.09 -50.09 57.14 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 118.71 0.686 . . . . 0.0 110.142 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.04 -46.7 71.98 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.075 0.55 . . . . 0.0 110.797 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 4.9 m -65.89 -28.8 69.22 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.379 177.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.41 -46.78 72.22 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.398 0.679 . . . . 0.0 110.693 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.424 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.4 mp -55.54 -48.56 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-O 119.354 -0.355 . . . . 0.0 110.839 172.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -57.67 -39.48 77.19 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.165 0.586 . . . . 0.0 111.132 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB1' ' HE1' ' B' ' 26' ' ' MET . . . -58.43 -53.72 55.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.939 172.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.453 ' O ' ' HD2' ' A' ' 46' ' ' LYS . 58.4 mt -59.43 -26.95 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.234 0.614 . . . . 0.0 111.99 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 44.8 mt-10 -67.0 -31.79 72.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 119.415 -0.326 . . . . 0.0 110.128 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 60.1 m -55.78 -37.59 68.76 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 123.669 0.606 . . . . 0.0 111.52 171.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.516 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.7 mm -69.67 -43.36 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.557 -175.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HD2' ' O ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -59.1 -24.97 63.41 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.211 1.004 . . . . 0.0 112.95 179.028 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -64.99 -52.88 53.74 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.168 0.587 . . . . 0.0 111.998 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -176.89 16.65 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 123.632 0.582 . . . . 0.0 111.896 -170.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.516 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.9 t -65.8 -31.82 73.0 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.279 -0.888 . . . . 0.0 112.48 -173.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.21 71.31 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.175 0.297 . . . . 0.0 111.687 170.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.26 3.43 64.03 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-O 119.427 -0.652 . . . . 0.0 114.127 176.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.69 164.73 13.88 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.374 0.669 . . . . 0.0 111.608 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -89.37 156.52 18.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.0 m -110.31 98.13 7.43 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 174.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.1 t -97.19 127.35 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.876 0.87 . . . . 0.0 109.596 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -108.8 111.44 23.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.056 0.542 . . . . 0.0 110.438 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -93.47 -15.84 25.14 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.849 1.26 . . . . 0.0 112.044 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.559 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 6.7 t -86.73 8.18 23.66 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.147 0.498 . . . . 0.0 112.269 -175.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.27 -17.33 61.34 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 122.735 0.414 . . . . 0.0 110.073 166.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.9 ttt -88.91 -56.68 3.19 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 123.563 0.745 . . . . 0.0 109.633 173.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.1 p -69.59 147.06 51.22 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.241 0.617 . . . . 0.0 111.201 -173.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -176.508 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttp . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.069 0.461 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -69.11 160.32 31.27 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.118 170.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.1 176.08 7.96 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.04 -166.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.423 ' HZ ' HG22 ' B' ' 45' ' ' ILE . 76.5 m-85 -103.15 113.5 27.03 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.267 1.027 . . . . 0.0 109.556 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -95.69 109.04 21.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.088 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.7 mt -98.23 118.05 44.11 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 -175.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.559 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 43.1 p90 -136.23 179.64 6.23 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.429 0.633 . . . . 0.0 109.296 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -123.93 147.4 47.74 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 165.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -81.55 161.24 23.64 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -50.99 -35.43 33.79 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.878 1.271 . . . . 0.0 111.295 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.89 6.34 0.52 Allowed 'General case' 0 CA--C 1.567 1.625 0 C-N-CA 124.159 0.984 . . . . 0.0 113.157 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.68 28.29 73.24 Favored Glycine 0 C--N 1.349 1.294 0 C-N-CA 124.597 1.094 . . . . 0.0 112.911 -176.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -109.83 118.7 37.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.664 0.386 . . . . 0.0 110.326 -170.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.433 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 85.7 m-85 -73.77 121.11 20.31 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -172.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' B' ' 14' ' ' TYR . 29.1 mmt180 -136.25 135.84 39.36 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -122.11 173.66 7.42 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 168.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -145.0 170.48 16.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 114.403 -1.272 . . . . 0.0 111.183 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.44 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.5 t80 -122.54 133.95 54.56 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 170.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -99.87 -178.64 3.92 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.983 -171.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' B' ' 24' ' ' GLU . . . -127.9 165.21 20.64 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.982 1.313 . . . . 0.0 107.828 172.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -51.31 -33.43 29.0 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -172.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -101.61 6.49 42.1 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 118.104 0.411 . . . . 0.0 111.991 -176.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.19 17.99 18.54 Favored Glycine 0 C--N 1.349 1.29 0 N-CA-C 114.802 0.681 . . . . 0.0 114.802 176.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.575 ' HB2' ' HB1' ' B' ' 20' ' ' ALA . 9.0 mp0 -79.05 155.84 28.63 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 117.252 0.526 . . . . 0.0 109.747 176.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 89.0 m -120.85 135.92 55.05 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.497 ' HE1' ' HB1' ' A' ' 41' ' ' ALA . 1.5 ppp? -114.0 -18.45 11.72 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.847 -175.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.79 167.11 21.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 161.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -173.59 -176.61 1.3 Allowed 'General case' 0 CA--C 1.541 0.62 0 O-C-N 125.257 1.598 . . . . 0.0 110.674 -168.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m 90.6 7.85 0.08 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 155.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.634 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -98.67 -85.44 0.38 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.085 0.554 . . . . 0.0 109.925 176.603 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 91.57 -10.74 73.99 Favored Glycine 0 C--N 1.346 1.108 0 C-N-CA 123.715 0.674 . . . . 0.0 112.515 -176.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 20.5 t80 74.24 -66.81 0.28 Allowed 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.166 1.786 . . . . 0.0 111.473 176.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -153.12 -61.21 0.14 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.106 0.479 . . . . 0.0 110.439 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.438 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -139.03 -174.73 3.93 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.773 1.229 . . . . 0.0 108.513 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -68.14 -50.18 56.26 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 118.664 0.666 . . . . 0.0 110.299 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.95 -46.92 71.73 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.234 0.614 . . . . 0.0 110.581 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.438 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 10.3 m -65.68 -28.8 69.34 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.274 178.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.41 72.03 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.405 0.682 . . . . 0.0 110.511 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.37 -48.4 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-O 119.298 -0.382 . . . . 0.0 110.803 172.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -57.16 -39.6 75.56 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.046 0.538 . . . . 0.0 111.131 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.482 ' HB1' ' HE3' ' A' ' 26' ' ' MET . . . -58.49 -53.22 60.74 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.936 173.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.481 ' O ' ' HD2' ' B' ' 46' ' ' LYS . 61.5 mt -59.94 -26.78 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.139 0.576 . . . . 0.0 111.789 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 48.7 mt-10 -67.19 -31.57 72.06 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.434 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 39.6 m -56.28 -36.99 69.25 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.562 0.539 . . . . 0.0 111.353 171.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.509 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.2 mm -69.96 -43.63 79.23 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.519 -175.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.481 ' HD2' ' O ' ' B' ' 42' ' ' ILE . 0.5 OUTLIER -58.29 -26.28 62.81 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.451 1.1 . . . . 0.0 112.849 178.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 99.2 mtt180 -63.47 -54.09 41.9 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.406 0.682 . . . . 0.0 112.529 -174.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -176.08 17.23 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 123.622 0.576 . . . . 0.0 111.621 -171.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.509 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.3 t -65.72 -31.71 72.85 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.462 -0.774 . . . . 0.0 112.383 -173.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.31 -33.55 71.24 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.57 0.348 . . . . 0.0 111.72 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.07 3.39 64.45 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.413 -0.66 . . . . 0.0 114.101 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.59 164.66 13.78 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 117.58 0.69 . . . . 0.0 111.502 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -88.84 156.86 18.69 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 41.5 m -110.7 98.06 7.32 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 44.8 t -96.46 127.57 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.024 0.93 . . . . 0.0 109.441 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -109.41 111.2 22.6 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.142 0.496 . . . . 0.0 110.293 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -93.25 -14.25 27.27 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.851 1.261 . . . . 0.0 112.157 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.529 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 5.8 t -88.81 5.9 41.45 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 118.771 0.714 . . . . 0.0 111.398 -175.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -30.2 59.44 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 166.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' MET . . . . . 0.407 ' HE2' ' HA ' ' B' ' 60' ' ' MET . 0.1 OUTLIER -159.43 97.85 1.37 Allowed 'General case' 0 C--O 1.24 0.593 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 173.018 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 5.7 m -55.0 143.65 25.8 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.201 1.001 . . . . 0.0 112.263 -169.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 C-N-CA 124.38 1.072 . . . . 0.0 109.472 -171.242 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.97 149.34 49.95 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.501 0.667 . . . . 0.0 110.919 173.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.45 173.76 11.75 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.637 -170.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -99.28 110.12 22.68 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.13 0.972 . . . . 0.0 109.125 -176.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -93.81 109.8 21.48 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.5 mt -97.36 113.21 31.18 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.639 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 40.9 p90 -131.65 178.78 6.49 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.414 HE21 ' HA2' ' A' ' 12' ' ' GLY . 8.8 pt20 -119.7 142.93 48.05 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 162.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.483 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 33.1 t70 -80.13 162.07 24.94 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.442 1.097 . . . . 0.0 109.173 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -35.17 25.33 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.621 1.568 . . . . 0.0 112.763 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.33 5.57 2.82 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.377 1.071 . . . . 0.0 112.601 174.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.414 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 69.53 36.72 77.36 Favored Glycine 0 C--N 1.344 0.989 0 C-N-CA 124.134 0.873 . . . . 0.0 113.095 -176.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -109.49 123.75 49.91 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.502 0.321 . . . . 0.0 111.155 -173.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -83.12 110.21 17.83 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.483 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 95.5 mtt180 -133.43 135.73 44.77 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.652 1.181 . . . . 0.0 110.171 -169.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -112.64 144.64 41.79 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 170.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -120.53 166.38 13.69 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.744 0.818 . . . . 0.0 108.857 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.572 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 21.4 t80 -124.9 136.75 54.07 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 175.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -97.63 -177.82 3.92 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.384 -172.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -122.48 -151.24 0.47 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.583 1.153 . . . . 0.0 108.402 175.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -93.12 -27.36 16.98 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.762 0.71 . . . . 0.0 110.613 -167.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -103.72 15.26 29.23 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.057 0.943 . . . . 0.0 111.507 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.72 21.08 72.69 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 116.514 -0.312 . . . . 0.0 113.26 -173.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.554 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 53.3 mm-40 -75.94 149.64 37.65 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -110.22 136.32 49.61 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 118.632 0.651 . . . . 0.0 109.843 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.572 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.9 ppp? -113.5 -28.34 7.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.994 0.918 . . . . 0.0 112.023 -173.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.483 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 3.2 p90 -147.41 165.06 31.37 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.733 0.778 . . . . 0.0 110.759 165.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.6 t -142.0 145.56 34.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 112.837 -1.983 . . . . 0.0 105.881 168.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 t -78.26 157.28 29.31 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.8 -22.08 62.4 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.015 0.526 . . . . 0.0 110.537 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.54 42.07 0.76 Allowed Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.425 -0.807 . . . . 0.0 114.246 172.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.6 t80 4.75 -67.36 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 128.037 2.535 . . . . 0.0 116.784 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -166.23 -69.97 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.555 0.342 . . . . 0.0 111.428 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.07 177.29 10.65 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.176 0.591 . . . . 0.0 110.632 -168.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.475 ' HE2' HD11 ' A' ' 39' ' ' ILE . 20.7 tptm -65.48 -49.49 68.85 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.781 0.832 . . . . 0.0 111.446 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.78 76.32 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.075 0.464 . . . . 0.0 111.298 174.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.2 m -66.51 -25.5 66.71 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.35 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.78 -51.67 46.2 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 123.579 0.549 . . . . 0.0 110.401 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.475 HD11 ' HE2' ' A' ' 35' ' ' LYS . 2.3 mp -56.14 -50.27 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 122.889 0.476 . . . . 0.0 111.231 176.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -58.0 -39.09 77.4 Favored 'General case' 0 C--O 1.254 1.324 0 O-C-N 123.595 0.559 . . . . 0.0 111.118 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.49 ' HB3' ' HE2' ' B' ' 26' ' ' MET . . . -59.97 -56.31 23.24 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.049 171.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.46 HD11 HG21 ' B' ' 54' ' ' THR . 74.4 mt -57.51 -26.54 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.416 0.686 . . . . 0.0 111.859 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 45.5 mt-10 -67.1 -33.65 75.94 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 119.338 -0.363 . . . . 0.0 110.192 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.45 ' HB2' ' HE1' ' B' ' 26' ' ' MET . 22.2 m -54.55 -39.8 68.07 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 123.773 0.67 . . . . 0.0 111.862 169.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.504 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.1 mm -68.81 -41.63 82.35 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.481 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 9.5 mmmm -62.79 -26.34 68.67 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.814 0.845 . . . . 0.0 112.787 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 26.2 mmm180 -62.72 -56.09 20.79 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.482 -174.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -175.08 20.35 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 122.865 0.466 . . . . 0.0 111.331 -172.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.504 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 25.3 t -62.51 -32.7 73.66 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -175.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -64.7 -19.25 65.64 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 173.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.87 -4.0 42.32 Favored Glycine 0 N--CA 1.477 1.393 0 CA-C-O 119.756 -0.469 . . . . 0.0 113.787 171.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.27 137.27 48.44 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.902 0.881 . . . . 0.0 111.515 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.17 158.05 29.72 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.163 0.585 . . . . 0.0 111.172 -177.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.406 HG23 HD13 ' B' ' 42' ' ' ILE . 55.6 m -111.49 97.66 6.9 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 121.475 0.655 . . . . 0.0 109.566 177.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.4 t -94.67 131.05 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.924 1.29 . . . . 0.0 110.593 -176.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -107.0 128.76 54.64 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.664 0.786 . . . . 0.0 111.423 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -100.93 -34.04 9.95 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.999 0.919 . . . . 0.0 112.229 170.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.616 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.6 t -78.05 -21.93 49.89 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -159.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.433 HG23 HG21 ' A' ' 58' ' ' THR . 72.8 p -128.28 -13.11 5.03 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 118.239 0.472 . . . . 0.0 110.955 -176.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.403 ' HA ' ' HE3' ' A' ' 60' ' ' MET . 2.6 tpt -75.56 -49.23 19.21 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.986 0.914 . . . . 0.0 110.159 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.7 p -128.92 -71.45 0.63 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.656 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 C-N-CA 123.848 0.859 . . . . 0.0 109.103 -176.037 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.09 157.25 22.66 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.617 0.767 . . . . 0.0 111.702 170.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.53 173.76 10.62 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.02 -171.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.495 ' HZ ' HG23 ' B' ' 45' ' ' ILE . 94.6 m-85 -98.92 110.05 22.72 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.389 1.076 . . . . 0.0 109.493 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -93.6 110.07 21.68 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 25.5 mt -97.61 113.61 32.58 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.616 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 30.4 p90 -132.37 178.7 6.62 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -119.38 142.84 47.82 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 162.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -79.96 162.1 25.12 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.422 1.089 . . . . 0.0 109.037 -177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -50.71 -35.8 33.0 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.485 1.514 . . . . 0.0 112.194 178.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.32 5.79 2.07 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 124.042 0.937 . . . . 0.0 112.57 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.8 36.49 74.66 Favored Glycine 0 C--N 1.346 1.114 0 C-N-CA 124.288 0.947 . . . . 0.0 112.841 -177.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -110.11 124.0 50.74 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.367 0.267 . . . . 0.0 110.664 -172.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -83.18 111.42 18.91 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -172.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -133.97 134.75 42.9 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.872 1.269 . . . . 0.0 109.946 -169.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -111.78 144.64 40.75 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 169.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -120.32 166.33 13.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.081 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.562 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 20.1 t80 -124.78 136.6 53.99 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 175.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -97.62 -177.82 3.92 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.369 -172.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.508 ' HB1' ' HB2' ' B' ' 24' ' ' GLU . . . -122.24 -151.61 0.48 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.668 1.187 . . . . 0.0 108.374 175.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 17.6 p -92.79 -27.44 17.19 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.455 0.57 . . . . 0.0 110.855 -168.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -103.26 15.18 29.88 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.085 0.954 . . . . 0.0 111.366 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.19 22.03 71.97 Favored Glycine 0 C--N 1.345 1.069 0 CA-C-O 120.151 -0.249 . . . . 0.0 113.134 -173.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.508 ' HB2' ' HB1' ' B' ' 20' ' ' ALA . 8.7 mm-40 -76.5 149.82 36.7 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 173.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 38.6 m -110.18 136.35 49.53 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.738 0.699 . . . . 0.0 109.635 174.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.562 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 2.0 ppp? -113.96 -27.55 7.69 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.045 0.938 . . . . 0.0 112.067 -173.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.485 ' HD1' ' HE3' ' B' ' 26' ' ' MET . 4.5 p90 -148.16 165.11 31.88 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 121.636 0.731 . . . . 0.0 110.728 164.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.0 t -141.47 146.18 36.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 168.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 37.3 t -78.43 157.88 28.85 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -71.2 -22.59 62.0 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 122.947 0.499 . . . . 0.0 110.113 171.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.13 42.09 0.79 Allowed Glycine 0 C--N 1.349 1.274 0 CA-C-N 115.349 -0.842 . . . . 0.0 114.29 172.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' B' ' 38' ' ' ALA . 3.0 p90 7.14 -67.45 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 128.035 2.534 . . . . 0.0 116.807 171.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -168.04 -70.37 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.036 0.534 . . . . 0.0 111.302 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.07 177.32 10.93 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 122.919 0.488 . . . . 0.0 110.816 -168.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -65.75 -49.21 69.22 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.8 0.84 . . . . 0.0 111.29 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.11 -43.14 77.84 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.911 0.484 . . . . 0.0 111.262 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 18.5 m -66.85 -24.79 66.18 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.29 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.401 ' HB3' ' CE2' ' B' ' 32' ' ' TYR . . . -67.08 -53.09 34.21 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.277 0.631 . . . . 0.0 110.654 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.92 -49.28 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 123.669 0.606 . . . . 0.0 111.074 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -57.93 -39.29 77.65 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 123.781 0.676 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.522 ' HB2' ' HE3' ' A' ' 26' ' ' MET . . . -60.24 -56.16 24.96 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.939 172.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.406 HD13 HG23 ' A' ' 54' ' ' THR . 64.7 mt -57.8 -26.67 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.295 0.638 . . . . 0.0 111.595 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.484 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 41.3 mt-10 -66.4 -34.14 77.29 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.6 0.36 . . . . 0.0 110.1 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 21.7 m -54.32 -40.05 67.61 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.831 0.707 . . . . 0.0 111.623 169.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.515 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.0 mm -68.77 -41.52 82.44 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -175.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.484 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.2 mmmm -63.34 -25.6 68.37 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.692 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 25.3 mmt180 -62.69 -56.6 16.2 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 124.093 0.871 . . . . 0.0 112.411 -174.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -174.51 20.43 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 123.441 0.463 . . . . 0.0 111.436 -172.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.515 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.1 t -62.18 -33.11 73.91 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.276 0.63 . . . . 0.0 112.556 -175.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.29 -19.22 65.26 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 173.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.75 -3.55 39.89 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 123.194 0.426 . . . . 0.0 113.71 172.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.51 137.22 47.97 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.69 0.796 . . . . 0.0 111.721 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.35 158.22 29.76 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.813 0.445 . . . . 0.0 111.533 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.46 HG21 HD11 ' A' ' 42' ' ' ILE . 25.7 m -111.11 97.39 6.77 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.262 0.553 . . . . 0.0 109.673 177.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 92.8 t -94.19 130.44 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.999 1.32 . . . . 0.0 110.733 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.85 128.63 53.88 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.822 0.849 . . . . 0.0 111.499 173.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -101.09 -34.52 9.69 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.939 0.896 . . . . 0.0 112.24 169.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.639 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.4 t -76.45 -15.11 59.99 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -159.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 65.9 p -131.81 20.8 4.6 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 28.0 ttt -135.82 -76.74 0.44 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.658 0.783 . . . . 0.0 109.626 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 23.8 p -141.47 100.41 3.77 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 123.47 0.708 . . . . 0.0 109.55 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 C-N-CA 124.002 0.921 . . . . 0.0 109.143 -174.749 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 ttm . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -171.84 162.5 6.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.574 1.15 . . . . 0.0 110.175 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -166.0 -179.54 5.25 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.177 -175.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.479 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 83.0 m-85 -99.85 113.3 25.73 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.382 1.073 . . . . 0.0 109.743 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.65 112.49 24.23 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.5 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 26.0 mt -99.39 114.33 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -174.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.611 ' HE1' ' HG3' ' A' ' 17' ' ' ARG . 27.2 p90 -134.22 168.62 18.53 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.34 142.45 43.56 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 169.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.47 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 36.0 t70 -77.93 163.61 25.85 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 123.667 0.787 . . . . 0.0 109.581 177.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -48.04 -33.17 7.62 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.132 1.373 . . . . 0.0 112.493 176.179 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.414 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -73.38 7.53 2.23 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 124.771 1.228 . . . . 0.0 112.468 176.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.46 22.67 77.8 Favored Glycine 0 C--N 1.346 1.107 0 C-N-CA 123.565 0.603 . . . . 0.0 112.671 -173.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 34.6 mt-10 -94.21 94.86 8.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.65 0.38 . . . . 0.0 111.518 -170.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.481 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 95.7 m-85 -53.76 131.32 39.24 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.49 171.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.19 170.44 22.27 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 125.153 1.533 . . . . 0.0 109.727 -172.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -145.76 138.82 26.02 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.622 ' HD2' HG21 ' A' ' 25' ' ' THR . 23.0 mtm180 -107.29 165.01 11.7 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.66 0.784 . . . . 0.0 109.029 173.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.564 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 21.6 t80 -127.16 142.24 51.55 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 173.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -98.91 -177.5 3.66 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.293 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.435 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . . . -134.42 161.08 36.01 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.805 1.242 . . . . 0.0 108.322 175.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 p -54.61 -28.43 46.57 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.345 1.058 . . . . 0.0 113.367 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -86.06 16.75 4.0 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.437 0.695 . . . . 0.0 111.174 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.48 49.98 68.83 Favored Glycine 0 C--N 1.354 1.547 0 C-N-CA 123.585 0.612 . . . . 0.0 113.604 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.435 ' HG3' ' HB3' ' A' ' 20' ' ' ALA . 6.9 pt-20 -140.09 138.92 35.71 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.151 0.58 . . . . 0.0 109.897 -175.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.622 HG21 ' HD2' ' A' ' 17' ' ' ARG . 54.4 m -78.42 141.97 37.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.293 0.637 . . . . 0.0 109.957 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.564 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.3 ppp? -120.29 -21.46 6.92 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.031 0.932 . . . . 0.0 111.665 -176.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.563 ' HE2' ' HB2' ' A' ' 29' ' ' SER . 3.3 p90 -152.22 161.89 41.95 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.497 0.665 . . . . 0.0 111.165 167.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.4 t -130.93 141.91 50.32 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 113.263 -1.789 . . . . 0.0 107.12 166.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.563 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 43.0 t -102.61 175.11 5.61 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.344 0.592 . . . . 0.0 110.405 -173.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.543 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 10.2 pt-20 -79.75 -16.1 56.24 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.471 169.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.481 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 74.57 -2.05 49.16 Favored Glycine 0 C--N 1.363 2.041 0 N-CA-C 115.597 0.999 . . . . 0.0 115.597 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.543 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 3.0 t80 82.79 -53.55 0.19 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.995 1.718 . . . . 0.0 111.624 169.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -165.88 -57.45 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.332 0.653 . . . . 0.0 111.128 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.52 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -146.1 -171.78 3.79 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.817 0.847 . . . . 0.0 109.314 -169.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.519 ' NZ ' HG23 ' B' ' 58' ' ' THR . 22.6 ttmm -65.27 -49.68 68.66 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.23 0.468 . . . . 0.0 110.763 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.48 -39.4 73.18 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.285 0.634 . . . . 0.0 111.193 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.52 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.6 m -72.5 -30.32 64.4 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.997 177.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.09 -54.72 18.74 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.799 0.84 . . . . 0.0 110.511 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.418 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 2.1 mp -57.39 -47.97 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 123.385 0.674 . . . . 0.0 110.712 175.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -57.21 -38.6 73.97 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.217 0.607 . . . . 0.0 111.531 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.47 -53.36 57.43 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.441 ' HA ' HG12 ' A' ' 45' ' ' ILE . 72.7 mt -58.57 -27.59 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 122.814 0.446 . . . . 0.0 111.529 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 56.7 mm-40 -62.63 -39.54 94.15 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.989 0.515 . . . . 0.0 110.117 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.3 m -54.39 -38.72 66.49 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 123.849 0.718 . . . . 0.0 112.112 172.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.492 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.1 mm -69.31 -40.58 80.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -175.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.535 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.5 mmmm -62.74 -21.79 66.06 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -177.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 38.0 mmt-85 -72.32 -60.28 2.31 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.846 -172.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -163.64 17.25 0.07 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 122.75 0.42 . . . . 0.0 110.981 -170.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 22.8 t -64.47 -32.15 73.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.694 -0.629 . . . . 0.0 112.423 -175.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.39 -23.05 67.24 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.965 172.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.32 -7.97 36.53 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-O 119.489 -0.617 . . . . 0.0 113.811 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.52 151.68 36.83 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.796 0.838 . . . . 0.0 111.545 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -76.37 159.33 30.6 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.161 0.505 . . . . 0.0 110.444 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -119.63 99.36 6.61 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.105 0.562 . . . . 0.0 109.647 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.16 126.08 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.56 1.144 . . . . 0.0 109.373 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.565 ' CG ' ' HZ1' ' B' ' 35' ' ' LYS . 12.4 t70 -99.18 111.14 23.59 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.065 0.546 . . . . 0.0 110.393 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.78 -30.77 45.76 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.866 0.867 . . . . 0.0 112.441 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.69 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 12.3 t -81.76 12.6 3.8 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -166.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 168.695 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ttt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -165.64 157.13 14.25 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.87 1.268 . . . . 0.0 109.561 171.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 179.0 8.04 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.271 0.628 . . . . 0.0 111.814 -171.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.502 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 84.6 m-85 -99.52 112.95 25.08 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 124.419 1.088 . . . . 0.0 109.718 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.447 ' HB2' ' HG2' ' B' ' 17' ' ' ARG . 33.4 mt-10 -94.73 112.62 24.35 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 23.1 mt -99.18 114.75 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -174.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.69 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 46.2 p90 -134.3 167.7 20.23 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -111.33 142.38 43.64 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 168.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.55 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 26.7 t70 -77.93 163.89 25.6 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.14 0.976 . . . . 0.0 109.013 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -33.32 10.19 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 125.034 1.334 . . . . 0.0 112.432 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.31 7.91 2.0 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 124.64 1.176 . . . . 0.0 112.669 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.76 23.39 76.84 Favored Glycine 0 C--N 1.35 1.306 0 C-N-CA 123.803 0.716 . . . . 0.0 112.888 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.55 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 39.1 mt-10 -93.45 95.57 9.36 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.677 0.391 . . . . 0.0 111.146 -170.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.487 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 60.5 m-85 -55.4 129.16 37.57 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.124 0.57 . . . . 0.0 110.503 171.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -153.75 170.51 20.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.274 1.829 . . . . 0.0 109.085 -172.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -146.04 139.4 26.04 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.447 ' HG2' ' HB2' ' B' ' 5' ' ' GLU . 8.9 ptp180 -107.63 165.8 11.15 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.555 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 23.0 t80 -127.67 142.01 51.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -99.05 -177.9 3.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.229 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.98 161.41 34.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.613 1.165 . . . . 0.0 108.033 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 88.2 p -54.82 -28.77 51.95 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.316 1.046 . . . . 0.0 113.338 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -86.23 17.59 3.59 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 123.493 0.717 . . . . 0.0 111.518 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.67 48.47 81.16 Favored Glycine 0 C--N 1.352 1.444 0 C-N-CA 123.815 0.721 . . . . 0.0 113.761 175.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -139.18 139.82 37.64 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.264 0.626 . . . . 0.0 110.11 -176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 90.4 m -78.76 142.05 37.33 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.445 0.698 . . . . 0.0 109.936 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.555 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.4 ppp? -120.16 -21.55 6.96 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.549 -176.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.572 ' HE2' ' HB3' ' B' ' 29' ' ' SER . 3.0 p90 -152.22 161.25 42.89 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.606 0.717 . . . . 0.0 111.137 168.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -130.48 141.51 50.51 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 113.39 -1.732 . . . . 0.0 106.926 166.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.572 ' HB3' ' HE2' ' B' ' 27' ' ' PHE . 86.2 p -102.59 176.92 5.01 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.195 0.522 . . . . 0.0 110.265 -174.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -82.39 -13.8 56.26 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.575 169.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 73.93 -1.3 47.88 Favored Glycine 0 C--N 1.356 1.689 0 N-CA-C 115.498 0.959 . . . . 0.0 115.498 -178.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 82.63 -53.72 0.2 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.666 1.587 . . . . 0.0 111.68 169.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -166.45 -57.84 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.447 0.699 . . . . 0.0 110.949 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.509 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -146.52 -171.14 3.68 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.728 0.811 . . . . 0.0 108.978 -169.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.565 ' HZ1' ' CG ' ' A' ' 56' ' ' ASP . 24.6 tttp -66.16 -49.42 67.47 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.254 0.621 . . . . 0.0 110.577 178.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.13 73.35 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.647 0.779 . . . . 0.0 110.973 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.509 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 8.1 m -72.98 -30.56 63.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.859 0.864 . . . . 0.0 111.015 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.91 -54.6 20.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.814 0.846 . . . . 0.0 110.508 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.43 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.2 mp -57.75 -47.55 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.192 0.597 . . . . 0.0 110.942 175.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.6 -39.11 73.01 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 123.454 0.701 . . . . 0.0 111.772 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.62 -53.66 53.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.314 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.418 ' HA ' HG12 ' B' ' 45' ' ' ILE . 73.2 mt -58.08 -28.23 33.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 122.885 0.474 . . . . 0.0 111.352 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.461 ' HB3' HH21 ' B' ' 47' ' ' ARG . 51.9 mt-10 -62.5 -39.23 92.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.851 0.461 . . . . 0.0 109.973 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 7.8 m -54.69 -38.72 67.34 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.692 0.62 . . . . 0.0 112.115 172.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.502 HG21 ' HZ ' ' B' ' 4' ' ' PHE . 3.3 mm -68.84 -40.54 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -175.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.1 mmmm -63.06 -21.95 66.52 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.119 -0.946 . . . . 0.0 113.395 -176.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.461 HH21 ' HB3' ' B' ' 43' ' ' GLU . 21.7 mmt180 -71.39 -61.21 1.86 Allowed 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.491 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -163.51 17.72 0.07 Allowed 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.867 0.467 . . . . 0.0 111.233 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.483 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 23.0 t -64.22 -32.36 73.91 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.695 -0.628 . . . . 0.0 112.254 -176.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.42 -22.69 67.03 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.81 0.444 . . . . 0.0 111.915 172.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.41 -8.07 36.11 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-O 119.371 -0.683 . . . . 0.0 113.932 173.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.59 151.25 38.42 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.848 0.859 . . . . 0.0 111.566 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -75.36 158.6 32.52 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.221 0.534 . . . . 0.0 110.563 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 41.7 m -119.57 99.57 6.75 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.406 0.683 . . . . 0.0 109.608 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.79 125.69 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.743 1.217 . . . . 0.0 109.505 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.5 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.3 t70 -99.42 110.03 22.56 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.37 0.668 . . . . 0.0 110.259 175.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 mp -77.74 -30.51 51.64 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.349 1.06 . . . . 0.0 111.955 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.608 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.6 t -81.81 7.01 13.81 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 118.166 0.439 . . . . 0.0 112.059 -167.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.545 0.785 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 167.605 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.75 172.89 16.26 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.171 0.588 . . . . 0.0 112.329 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.418 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -157.25 174.98 14.63 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.563 -174.183 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.453 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 76.9 m-85 -100.92 120.69 40.53 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.354 1.062 . . . . 0.0 109.642 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 16' ' ' PHE . 78.2 mt-10 -92.34 107.35 19.15 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.592 0.757 . . . . 0.0 110.005 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.49 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 38.1 mt -100.67 113.78 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.567 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 20.8 p90 -138.87 178.29 7.26 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -177.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -115.52 141.56 47.89 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 163.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.572 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 19.4 t70 -78.38 165.72 23.49 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -51.02 -35.33 33.55 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.224 1.01 . . . . 0.0 112.308 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HB3' ' HG2' ' A' ' 13' ' ' GLU . . . -73.97 6.58 3.24 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 123.879 0.872 . . . . 0.0 112.637 176.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.04 29.43 60.66 Favored Glycine 0 C--N 1.351 1.363 0 C-N-CA 124.314 0.959 . . . . 0.0 112.444 -175.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 11.4 mm-40 -92.96 89.17 6.43 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.344 0.258 . . . . 0.0 110.991 -171.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.405 ' CD1' ' HB3' ' A' ' 35' ' ' LYS . 64.1 m-85 -59.02 125.13 22.36 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.099 0.476 . . . . 0.0 111.297 173.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -169.61 165.97 10.08 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 114.204 -1.362 . . . . 0.0 111.693 -172.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 48.4 p90 -128.34 144.2 51.1 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.56 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.666 ' HD2' HG21 ' A' ' 25' ' ' THR . 41.8 mtm180 -108.2 165.03 11.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.392 1.077 . . . . 0.0 108.562 170.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.552 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 20.1 t80 -125.87 138.6 53.81 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 170.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -100.21 -178.38 3.81 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.148 0.979 . . . . 0.0 111.852 -173.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.37 162.47 30.05 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.273 -1.33 . . . . 0.0 108.693 174.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.5 p -53.16 -26.33 16.71 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -85.31 -1.82 57.39 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.137 0.575 . . . . 0.0 111.898 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.35 28.98 46.57 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 123.023 0.344 . . . . 0.0 112.429 -172.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -103.11 124.83 49.31 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.354 0.662 . . . . 0.0 110.576 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.666 HG21 ' HD2' ' A' ' 17' ' ' ARG . 93.6 m -77.77 129.65 35.74 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 173.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.566 ' HE1' ' HD1' ' A' ' 27' ' ' PHE . 1.5 ppp? -108.3 -17.98 13.87 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.663 0.785 . . . . 0.0 112.171 -176.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.566 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 5.4 p90 -156.95 163.58 38.97 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.46 0.648 . . . . 0.0 111.912 166.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 t -129.05 141.16 51.32 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.336 -1.756 . . . . 0.0 106.681 169.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.451 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 36.0 t -101.91 178.9 4.48 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.103 0.561 . . . . 0.0 110.128 -174.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -93.99 -6.96 44.18 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.495 0.718 . . . . 0.0 109.599 169.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.46 3.51 82.86 Favored Glycine 0 C--N 1.357 1.723 0 N-CA-C 114.608 0.603 . . . . 0.0 114.608 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.531 ' HD2' ' HB3' ' A' ' 37' ' ' SER . 76.7 t80 75.74 -63.05 0.42 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.453 1.501 . . . . 0.0 111.101 176.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -152.87 -49.51 0.1 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.283 0.633 . . . . 0.0 111.107 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -151.61 -175.34 5.16 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.658 0.783 . . . . 0.0 109.585 -172.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -70.11 -46.31 65.07 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 119.115 0.871 . . . . 0.0 110.969 -178.681 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.474 ' N ' ' HD3' ' A' ' 35' ' ' LYS . . . -59.2 -40.76 86.76 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.076 0.551 . . . . 0.0 110.467 177.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.531 ' HB3' ' HD2' ' A' ' 32' ' ' TYR . 4.4 m -65.68 -29.87 70.48 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.874 176.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.61 66.65 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.269 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -54.8 -50.85 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 123.157 0.583 . . . . 0.0 110.882 172.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -58.33 -37.02 74.28 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.392 0.677 . . . . 0.0 111.152 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -62.57 -51.24 68.11 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.49 173.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.514 ' HA ' HG12 ' A' ' 45' ' ' ILE . 73.2 mt -61.06 -25.55 36.48 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 O-C-N 122.053 -0.405 . . . . 0.0 111.653 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 46.7 mt-10 -69.55 -30.64 68.49 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 37.7 m -57.56 -39.49 76.8 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 123.743 0.652 . . . . 0.0 111.427 169.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.514 HG12 ' HA ' ' A' ' 42' ' ' ILE . 3.9 mm -67.91 -41.2 84.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -173.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HD2' ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -57.84 -28.96 64.59 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.611 1.164 . . . . 0.0 113.787 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.5 mmt180 -70.69 -47.94 57.25 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -170.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -174.07 16.49 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 123.332 0.395 . . . . 0.0 111.913 -172.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.513 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.2 t -66.05 -30.56 71.11 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.445 -0.784 . . . . 0.0 112.179 -175.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.24 -37.75 75.5 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 123.424 0.452 . . . . 0.0 111.679 171.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.06 2.27 65.84 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.705 -0.497 . . . . 0.0 113.941 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.08 157.84 24.3 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.512 0.725 . . . . 0.0 112.164 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' B' ' 3' ' ' LYS . 29.8 t0 -83.45 153.34 24.52 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 m -117.15 100.83 7.98 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.896 0.478 . . . . 0.0 109.833 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.7 t -105.32 130.09 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.673 0.789 . . . . 0.0 110.319 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.718 ' HB2' HG23 ' A' ' 59' ' ' THR . 5.2 m-20 -98.62 108.4 21.08 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.869 0.868 . . . . 0.0 109.377 175.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mp -77.8 -14.58 59.54 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.244 1.018 . . . . 0.0 111.226 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -100.37 21.6 12.87 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 123.498 0.719 . . . . 0.0 110.429 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.718 HG23 ' HB2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 C-N-CA 123.636 0.774 . . . . 0.0 110.891 173.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ttt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.99 174.05 14.34 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.651 0.78 . . . . 0.0 111.553 175.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -158.44 175.26 13.92 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.486 -174.032 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.44 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 71.7 m-85 -101.09 120.62 40.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.421 1.089 . . . . 0.0 109.57 174.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' B' ' 16' ' ' PHE . 42.7 mt-10 -92.75 107.43 19.21 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.785 0.834 . . . . 0.0 109.81 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.446 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 56.6 mt -100.72 113.86 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.469 ' HE1' ' HG3' ' B' ' 17' ' ' ARG . 5.9 p90 -139.2 178.11 7.42 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -177.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -115.33 141.45 48.02 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 163.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.629 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 24.9 t70 -78.17 165.23 24.19 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -49.62 -35.27 20.49 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.552 1.141 . . . . 0.0 112.939 178.299 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.525 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . . . -75.24 6.92 3.84 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.094 0.958 . . . . 0.0 112.331 177.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.54 29.56 61.49 Favored Glycine 0 C--N 1.345 1.07 0 C-N-CA 124.441 1.02 . . . . 0.0 112.476 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.629 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 16.2 mm-40 -92.7 89.8 6.81 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.316 0.246 . . . . 0.0 110.742 -172.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.43 ' CD1' ' HB2' ' B' ' 35' ' ' LYS . 51.4 m-85 -59.67 125.45 23.69 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.212 0.529 . . . . 0.0 111.4 173.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.403 ' HE ' ' HB2' ' B' ' 9' ' ' ASP . 17.1 ptt180 -169.09 165.77 11.1 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.357 -171.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' B' ' 5' ' ' GLU . 48.5 p90 -128.45 143.92 51.06 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.612 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.504 ' HD2' HG21 ' B' ' 25' ' ' THR . 22.7 mtm180 -107.52 165.43 11.42 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.273 1.029 . . . . 0.0 108.473 170.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.53 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 19.6 t80 -126.03 138.4 53.72 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 169.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -100.22 -178.26 3.77 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.041 0.936 . . . . 0.0 111.728 -173.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.31 162.45 30.03 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.183 -1.372 . . . . 0.0 108.889 174.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.1 p -53.89 -25.37 19.75 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -84.9 -1.91 57.18 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.329 0.651 . . . . 0.0 112.32 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.11 28.9 47.98 Favored Glycine 0 C--N 1.341 0.823 0 O-C-N 123.45 0.469 . . . . 0.0 112.297 -172.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -102.29 124.67 48.29 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.448 0.699 . . . . 0.0 110.568 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.504 HG21 ' HD2' ' B' ' 17' ' ' ARG . 98.7 m -77.88 129.61 35.59 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 173.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.552 ' HE1' ' HD1' ' B' ' 27' ' ' PHE . 1.5 ppp? -108.61 -17.53 13.94 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.487 -0.778 . . . . 0.0 112.088 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.552 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 6.1 p90 -156.88 163.98 38.56 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.562 0.696 . . . . 0.0 111.785 166.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -129.5 141.02 51.09 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 113.421 -1.718 . . . . 0.0 106.764 169.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.456 ' HB2' ' HE2' ' B' ' 27' ' ' PHE . 36.4 t -101.83 178.18 4.69 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.172 0.589 . . . . 0.0 110.154 -174.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -92.55 -7.41 47.29 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.298 0.639 . . . . 0.0 109.847 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.37 3.81 83.06 Favored Glycine 0 C--N 1.356 1.67 0 N-CA-C 114.884 0.714 . . . . 0.0 114.884 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.506 ' HD2' ' HB3' ' B' ' 37' ' ' SER . 80.5 t80 75.63 -63.34 0.41 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.429 1.492 . . . . 0.0 111.089 176.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -152.67 -49.48 0.1 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.468 0.707 . . . . 0.0 111.218 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.463 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -151.24 -175.51 5.19 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.627 0.771 . . . . 0.0 109.124 -172.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.43 ' HB2' ' CD1' ' B' ' 14' ' ' TYR . 48.1 tttm -70.07 -47.4 62.09 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.978 0.808 . . . . 0.0 110.685 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.24 81.1 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.254 0.549 . . . . 0.0 110.741 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.506 ' HB3' ' HD2' ' B' ' 32' ' ' TYR . 3.7 m -65.98 -29.87 70.33 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.819 176.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.78 67.02 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.869 0.868 . . . . 0.0 110.327 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.405 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.9 mp -54.84 -50.39 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 118.301 0.5 . . . . 0.0 110.949 172.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -59.06 -36.23 74.7 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.106 0.562 . . . . 0.0 111.673 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -62.62 -51.69 66.29 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.367 172.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.502 ' O ' ' HD2' ' B' ' 46' ' ' LYS . 77.8 mt -61.01 -25.66 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 O-C-N 122.092 -0.38 . . . . 0.0 111.682 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 47.7 mt-10 -68.91 -30.12 68.53 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.434 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 32.2 m -58.57 -39.04 79.19 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.144 0.578 . . . . 0.0 111.362 169.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.518 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.2 mm -67.95 -41.53 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 124.025 0.828 . . . . 0.0 108.967 -174.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.502 ' HD2' ' O ' ' B' ' 42' ' ' ILE . 0.7 OUTLIER -57.52 -29.64 64.5 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.824 1.249 . . . . 0.0 113.79 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 31.2 mmm180 -69.8 -47.91 61.08 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -170.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -174.59 16.21 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 O-C-N 123.371 0.419 . . . . 0.0 111.98 -171.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.518 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 24.0 t -66.25 -30.63 71.11 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.405 -0.809 . . . . 0.0 112.214 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.24 76.87 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.753 0.421 . . . . 0.0 111.492 171.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.33 2.74 68.44 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 119.567 -0.574 . . . . 0.0 113.977 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.58 157.58 26.56 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.5 0.72 . . . . 0.0 112.229 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.418 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 19.8 t70 -82.49 152.84 25.89 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 16.8 m -116.48 100.55 7.94 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.035 0.534 . . . . 0.0 110.211 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.1 p -105.1 130.78 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.264 0.626 . . . . 0.0 110.656 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.49 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.5 t70 -98.79 108.43 21.12 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.956 0.903 . . . . 0.0 110.212 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.16 -19.76 50.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.29 1.036 . . . . 0.0 112.206 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.567 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 8.9 t -89.52 12.66 15.92 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 118.409 0.549 . . . . 0.0 111.515 -174.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 168.549 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.0 ttp . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.42 172.8 2.37 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.711 0.804 . . . . 0.0 112.571 173.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.89 178.65 8.71 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.417 -172.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.32 120.36 39.82 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.712 1.205 . . . . 0.0 109.375 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.457 ' HB2' ' HG2' ' A' ' 17' ' ' ARG . 46.6 mt-10 -96.7 111.32 23.53 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 175.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.495 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 42.4 mt -102.8 116.04 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.648 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 35.9 p90 -139.9 -177.85 5.17 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -122.22 155.48 35.76 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 165.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -88.23 159.75 18.0 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.356 -1.293 . . . . 0.0 108.69 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -34.27 2.23 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.681 1.593 . . . . 0.0 113.353 176.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.8 4.7 3.06 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.097 0.959 . . . . 0.0 112.91 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.51 35.07 89.5 Favored Glycine 0 C--N 1.36 1.891 0 C-N-CA 123.917 0.77 . . . . 0.0 112.39 -174.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -111.05 130.28 55.65 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.019 0.528 . . . . 0.0 109.611 -174.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -84.88 127.32 34.1 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -128.04 135.21 49.54 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -122.18 131.09 53.77 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 167.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' HD2' ' HE1' ' A' ' 7' ' ' TYR . 8.9 ptm180 -113.07 164.83 12.99 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.999 0.919 . . . . 0.0 109.059 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.662 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 15.1 t80 -121.62 133.56 54.99 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 171.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -98.6 -179.64 4.38 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.619 -173.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.426 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . . . -132.17 162.6 30.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.226 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 m -53.01 -35.19 59.13 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.622 1.169 . . . . 0.0 113.331 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.461 HD21 ' HB3' ' A' ' 24' ' ' GLU . 4.6 p-10 -83.38 -3.09 57.2 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.986 0.514 . . . . 0.0 111.887 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.9 49.36 6.49 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 123.5 0.571 . . . . 0.0 112.98 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' HB3' HD21 ' A' ' 22' ' ' ASN . 10.0 pt-20 -125.15 154.06 42.07 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 174.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.3 m -95.36 144.52 25.83 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.207 0.603 . . . . 0.0 109.585 174.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.662 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.9 ppp? -121.33 -30.51 4.27 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.606 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.444 ' N ' ' SD ' ' A' ' 26' ' ' MET . 3.3 p90 -138.44 149.13 45.17 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.571 0.7 . . . . 0.0 110.901 167.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 m -123.8 132.42 53.78 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 113.327 -1.76 . . . . 0.0 106.47 169.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -111.99 164.79 12.74 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 123.302 0.641 . . . . 0.0 109.523 -174.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.65 2.18 20.32 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.973 0.909 . . . . 0.0 111.807 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.06 -6.98 61.09 Favored Glycine 0 N--CA 1.477 1.373 0 CA-C-O 120.055 -0.303 . . . . 0.0 113.693 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.9 t80 78.8 -52.11 0.46 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.599 1.96 . . . . 0.0 111.649 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -165.35 -57.82 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.598 0.759 . . . . 0.0 110.364 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -146.36 -169.99 3.39 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.043 0.937 . . . . 0.0 108.62 -174.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -65.75 -47.5 75.03 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.569 0.622 . . . . 0.0 110.677 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.86 -44.5 70.41 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.213 0.53 . . . . 0.0 110.787 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.441 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 14.8 m -72.19 -28.42 63.19 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.15 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.81 -55.55 14.39 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 123.537 0.735 . . . . 0.0 110.72 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.476 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 2.8 mp -60.11 -48.48 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-O 118.929 -0.558 . . . . 0.0 110.36 177.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -57.14 -39.74 75.78 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 123.561 0.538 . . . . 0.0 110.864 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.73 -56.13 26.1 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 173.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.467 HG22 ' HD3' ' A' ' 46' ' ' LYS . 87.7 mt -57.63 -24.64 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 123.519 0.728 . . . . 0.0 111.981 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' HA ' ' HG2' ' A' ' 46' ' ' LYS . 23.3 mm-40 -66.78 -28.75 68.64 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.916 0.486 . . . . 0.0 110.569 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -55.56 -43.47 75.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 123.651 0.595 . . . . 0.0 112.109 165.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.494 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.7 mm -66.13 -41.02 88.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-O 121.573 0.701 . . . . 0.0 109.148 -172.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.532 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 6.6 mmmm -61.69 -22.21 65.14 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 114.76 -1.109 . . . . 0.0 113.277 -174.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 16.2 mmt180 -77.31 -63.77 1.29 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.195 -172.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -153.26 15.5 0.53 Allowed 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 122.366 0.266 . . . . 0.0 111.693 -169.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.494 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 21.7 t -67.2 -33.73 76.01 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -174.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.497 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -60.97 -26.34 67.48 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.85 0.46 . . . . 0.0 111.914 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.72 -4.03 39.8 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-O 119.619 -0.545 . . . . 0.0 113.878 175.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.26 140.25 58.7 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.689 0.796 . . . . 0.0 110.627 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.8 154.74 41.44 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 117.782 0.264 . . . . 0.0 110.421 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.7 m -115.81 99.88 7.61 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.238 0.615 . . . . 0.0 109.775 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.0 t -99.54 127.67 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.687 0.795 . . . . 0.0 109.724 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 13.6 t70 -104.08 112.28 25.22 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.205 0.602 . . . . 0.0 109.587 173.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.37 -20.6 28.03 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.283 1.433 . . . . 0.0 112.271 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.668 HG23 ' HZ3' ' B' ' 35' ' ' LYS . 10.3 t -92.89 15.94 13.68 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.582 0.706 . . . . 0.0 111.441 -171.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.477 0.918 0 C-N-CA 123.22 0.608 . . . . 0.0 109.961 166.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.3 ttm . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.412 ' OH ' ' HB2' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -157.17 178.52 10.24 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.824 0.85 . . . . 0.0 111.311 177.307 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.65 178.23 7.46 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 123.422 0.689 . . . . 0.0 112.029 -174.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -100.49 120.11 39.5 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.014 1.326 . . . . 0.0 109.226 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.93 111.05 23.43 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.435 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 28.4 mt -103.11 116.08 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.63 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 21.1 p90 -139.88 -177.79 5.14 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -122.75 154.23 38.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 166.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -87.43 160.21 18.4 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.147 1.379 . . . . 0.0 108.263 175.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -34.24 3.34 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.794 1.638 . . . . 0.0 113.165 176.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.37 4.46 2.93 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.189 0.996 . . . . 0.0 112.894 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.81 34.89 88.68 Favored Glycine 0 C--N 1.348 1.234 0 C-N-CA 123.835 0.731 . . . . 0.0 112.504 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.45 130.84 55.47 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.114 0.566 . . . . 0.0 109.889 -174.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -84.72 127.86 34.32 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -173.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -128.18 135.04 49.18 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 175.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -121.92 131.02 53.8 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 166.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.528 ' HD2' HG21 ' B' ' 25' ' ' THR . 24.6 mtm180 -112.42 165.3 12.33 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 123.964 0.906 . . . . 0.0 109.216 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.647 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 16.7 t80 -122.12 133.31 54.76 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 171.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -98.1 -178.96 4.23 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.854 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.31 162.3 32.19 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.043 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -53.35 -34.41 57.45 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.706 1.202 . . . . 0.0 113.567 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -83.18 -4.63 58.59 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.423 0.689 . . . . 0.0 111.291 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.31 47.35 6.98 Favored Glycine 0 C--N 1.344 0.985 0 C-N-CA 123.451 0.548 . . . . 0.0 112.875 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -123.47 152.97 41.13 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.388 0.675 . . . . 0.0 109.582 174.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.528 HG21 ' HD2' ' B' ' 17' ' ' ARG . 63.6 m -94.48 144.19 25.78 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.293 0.637 . . . . 0.0 109.437 174.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.647 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.9 ppp? -121.17 -30.69 4.28 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.547 -175.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.442 ' N ' ' SD ' ' B' ' 26' ' ' MET . 3.7 p90 -138.17 149.09 45.52 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.539 0.685 . . . . 0.0 110.784 167.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.3 m -123.15 132.53 54.11 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 113.404 -1.726 . . . . 0.0 106.544 170.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -112.72 164.77 12.97 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.052 0.541 . . . . 0.0 109.575 -174.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' B' ' 32' ' ' TYR . 10.3 pt-20 -77.83 2.34 17.52 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.671 0.788 . . . . 0.0 111.649 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.38 -6.84 59.41 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-O 119.901 -0.388 . . . . 0.0 113.964 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.416 ' H ' ' HG3' ' B' ' 30' ' ' GLU . 4.8 t80 78.08 -51.48 0.5 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.68 1.992 . . . . 0.0 111.535 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -165.28 -58.02 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.733 0.813 . . . . 0.0 110.342 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.425 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -145.7 -169.88 3.33 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.886 0.874 . . . . 0.0 108.642 -174.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.668 ' HZ3' HG23 ' A' ' 58' ' ' THR . 17.9 ttmm -65.49 -47.72 75.08 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.462 0.574 . . . . 0.0 110.477 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.66 -44.2 73.07 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.933 0.493 . . . . 0.0 110.683 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.425 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 6.3 m -72.11 -28.89 63.58 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.01 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.35 -55.66 14.85 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.624 0.77 . . . . 0.0 110.778 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 mp -60.01 -47.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 122.883 0.473 . . . . 0.0 110.638 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -58.23 -39.22 78.5 Favored 'General case' 0 C--O 1.258 1.508 0 O-C-N 123.582 0.551 . . . . 0.0 110.679 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.28 -56.14 25.91 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.459 HG22 ' HD3' ' B' ' 46' ' ' LYS . 88.4 mt -57.32 -24.81 22.19 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 123.583 0.753 . . . . 0.0 111.895 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.545 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 46.5 mt-10 -67.04 -28.15 67.99 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 122.719 0.408 . . . . 0.0 110.819 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.3 m -55.65 -43.46 76.27 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 123.443 0.465 . . . . 0.0 112.036 165.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.495 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.8 mm -66.5 -40.82 87.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -172.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.545 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.6 mmmm -62.19 -22.02 65.58 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 114.869 -1.06 . . . . 0.0 113.446 -174.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 26.4 mmm180 -76.21 -65.82 0.87 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.894 -172.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -151.59 14.98 0.67 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.035 0.534 . . . . 0.0 111.86 -169.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.495 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 19.8 t -67.23 -33.41 75.3 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -173.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -61.16 -26.62 67.82 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.878 0.471 . . . . 0.0 112.031 172.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.32 -4.4 40.84 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-O 119.377 -0.679 . . . . 0.0 113.848 175.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.37 139.54 58.78 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.866 0.866 . . . . 0.0 110.562 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.62 154.13 42.14 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 117.881 0.31 . . . . 0.0 110.558 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 58.6 m -115.45 100.13 7.87 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.096 0.558 . . . . 0.0 109.818 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -99.24 127.77 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.949 0.899 . . . . 0.0 109.703 -177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.495 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 4.5 t70 -103.52 112.51 25.45 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.234 1.014 . . . . 0.0 109.769 172.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.11 -21.7 24.53 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 124.868 1.267 . . . . 0.0 113.001 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.648 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.7 t -91.6 -18.72 23.61 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 119.417 1.008 . . . . 0.0 113.065 -168.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.0 p . . . . . 0 N--CA 1.501 2.125 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -174.286 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 ttm . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -155.1 175.42 13.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.613 0.765 . . . . 0.0 110.466 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -162.23 -179.87 7.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.204 0.526 . . . . 0.0 112.131 -172.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.421 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 89.3 m-85 -99.34 120.49 39.66 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.643 1.177 . . . . 0.0 110.486 176.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -94.77 107.87 19.88 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.325 0.65 . . . . 0.0 110.291 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 43.6 mt -99.29 123.67 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.526 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.6 p90 -155.02 -177.41 6.51 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 120.791 0.329 . . . . 0.0 110.406 173.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -115.06 145.7 42.04 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 172.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 15.6 t70 -79.13 162.53 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -48.77 -35.15 13.64 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.973 1.309 . . . . 0.0 111.765 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.7 7.16 3.24 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.005 0.922 . . . . 0.0 112.937 177.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.35 77.13 Favored Glycine 0 C--N 1.342 0.904 0 C-N-CA 124.258 0.932 . . . . 0.0 113.156 -176.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 46.7 mt-10 -93.76 95.51 9.19 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 116.817 0.309 . . . . 0.0 111.188 -168.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -54.66 133.77 46.9 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.125 0.488 . . . . 0.0 111.261 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -156.28 138.18 14.39 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 126.004 1.721 . . . . 0.0 108.822 -172.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -114.66 138.59 50.5 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.589 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 81.8 mtp180 -118.21 161.9 19.13 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.931 0.893 . . . . 0.0 108.735 -176.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.625 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 14.2 t80 -124.31 132.27 53.55 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -99.38 -179.4 4.21 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.978 -172.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -134.56 157.31 46.88 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.094 1.358 . . . . 0.0 107.752 177.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.5 p -51.21 -26.89 7.68 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -91.19 13.12 17.97 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.015 0.926 . . . . 0.0 111.897 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.34 16.39 77.23 Favored Glycine 0 C--N 1.35 1.311 0 C-N-CA 123.322 0.487 . . . . 0.0 113.444 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 22.1 mm-40 -81.87 155.56 25.28 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.565 0.746 . . . . 0.0 109.902 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 m -117.95 147.85 42.76 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.625 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -124.01 -12.89 7.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.806 0.843 . . . . 0.0 111.814 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 6.6 p90 -159.51 160.72 34.92 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.95 0.881 . . . . 0.0 112.66 164.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.589 ' HA ' ' HG2' ' A' ' 17' ' ' ARG . 40.0 t -125.03 140.15 53.16 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 112.543 -2.117 . . . . 0.0 106.15 166.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.441 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 46.0 t -98.71 177.51 5.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.77 3.81 54.96 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 122.816 0.447 . . . . 0.0 110.131 168.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.57 -12.89 57.92 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 115.077 0.791 . . . . 0.0 115.077 170.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 t80 81.71 -57.31 0.25 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.863 1.665 . . . . 0.0 110.494 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -154.96 -56.02 0.1 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.048 0.539 . . . . 0.0 110.011 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -157.97 -172.17 3.81 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.152 0.981 . . . . 0.0 109.124 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.709 ' HD3' HG23 ' B' ' 58' ' ' THR . 22.5 pttp -71.51 -42.56 67.86 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 119.041 0.837 . . . . 0.0 111.886 -174.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.07 96.0 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.198 0.523 . . . . 0.0 110.606 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.453 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 8.2 m -66.33 -24.27 66.5 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.101 175.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.71 -40.82 65.88 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.151 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.4 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 3.0 mp -57.15 -49.8 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 118.728 0.694 . . . . 0.0 109.903 170.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -57.61 -39.49 77.01 Favored 'General case' 0 C--O 1.254 1.296 0 O-C-N 123.719 0.637 . . . . 0.0 111.171 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -62.73 -52.05 64.77 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.254 174.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.549 ' HA ' HG12 ' A' ' 45' ' ' ILE . 84.0 mt -60.25 -23.8 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 123.083 0.553 . . . . 0.0 111.745 178.017 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 54.7 mt-10 -65.94 -34.52 78.3 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 6.0 m -56.17 -40.33 73.73 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.608 0.568 . . . . 0.0 111.722 169.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.549 HG12 ' HA ' ' A' ' 42' ' ' ILE . 5.5 mm -66.88 -39.7 84.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 123.729 0.643 . . . . 0.0 109.667 -173.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.573 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 9.7 mmmm -63.4 -27.81 69.56 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.725 -176.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 43' ' ' GLU . 93.9 mtt180 -71.09 -54.15 12.14 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.058 -0.974 . . . . 0.0 113.316 -171.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -164.13 15.62 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.532 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.9 t -68.54 -33.25 73.77 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 121.76 -0.588 . . . . 0.0 112.038 -176.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.559 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -65.14 -15.58 62.56 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.85 -6.72 28.15 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.434 -0.648 . . . . 0.0 114.011 171.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.56 129.89 40.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.867 0.867 . . . . 0.0 112.491 -176.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.29 155.1 25.8 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.564 0.746 . . . . 0.0 111.727 -176.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.9 m -111.0 100.71 9.36 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.061 0.544 . . . . 0.0 110.391 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.4 t -100.17 124.83 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.89 0.876 . . . . 0.0 110.153 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.481 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.9 t70 -104.1 109.91 21.88 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.115 0.966 . . . . 0.0 110.113 174.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -86.82 -18.34 31.22 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.671 1.188 . . . . 0.0 112.524 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.615 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 14.0 t -91.81 20.16 5.88 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.224 0.535 . . . . 0.0 112.087 -172.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 C-N-CA 122.681 0.392 . . . . 0.0 110.327 165.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttm . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -69.47 169.02 13.31 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.524 0.678 . . . . 0.0 111.961 172.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.47 179.59 8.49 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.534 -169.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.457 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 76.3 m-85 -98.89 119.81 38.28 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.762 1.225 . . . . 0.0 110.562 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -94.39 108.02 19.95 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.22 0.608 . . . . 0.0 109.832 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.481 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 47.7 mt -99.41 124.23 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.615 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 30.2 p90 -155.27 -177.47 6.57 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 173.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -115.05 145.05 42.7 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 172.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.54 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 23.6 t70 -78.41 162.43 26.43 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.827 0.851 . . . . 0.0 108.812 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -47.98 -34.48 9.35 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.752 1.221 . . . . 0.0 112.872 177.023 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.502 ' N ' ' HD2' ' B' ' 10' ' ' LYS . . . -76.29 7.41 4.32 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.079 0.952 . . . . 0.0 112.601 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.06 19.66 76.97 Favored Glycine 0 C--N 1.343 0.923 0 C-N-CA 124.298 0.952 . . . . 0.0 113.324 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.54 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 39.8 mt-10 -94.27 95.76 9.14 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.769 0.284 . . . . 0.0 111.443 -169.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -55.36 131.18 45.1 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.491 0.494 . . . . 0.0 111.184 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -152.61 138.86 18.38 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 126.352 1.861 . . . . 0.0 108.222 -173.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -114.3 138.17 50.85 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 168.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.656 ' HE ' HG21 ' B' ' 25' ' ' THR . 82.8 mtp180 -116.32 161.81 18.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.372 1.069 . . . . 0.0 108.575 -177.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.619 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 13.4 t80 -124.1 132.48 53.66 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -99.37 -179.57 4.26 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.948 -172.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -134.09 157.36 46.35 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.072 1.349 . . . . 0.0 107.71 176.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 16.2 m -51.58 -26.57 8.97 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.614 1.166 . . . . 0.0 113.409 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.46 ' HB2' ' HG2' ' B' ' 24' ' ' GLU . 64.0 m-20 -91.15 12.88 18.63 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.058 0.943 . . . . 0.0 111.749 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.21 16.42 77.0 Favored Glycine 0 C--N 1.35 1.317 0 C-N-CA 123.56 0.6 . . . . 0.0 113.689 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 20.8 mm-40 -81.68 155.55 25.51 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.675 0.79 . . . . 0.0 109.307 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.656 HG21 ' HE ' ' B' ' 17' ' ' ARG . 22.4 m -117.69 148.03 42.37 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 171.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.619 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.5 ppp? -123.87 -12.65 7.52 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.699 0.8 . . . . 0.0 111.82 -177.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.509 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 6.8 p90 -159.96 160.74 33.77 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.858 0.837 . . . . 0.0 112.51 164.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' B' ' 17' ' ' ARG . 46.3 t -125.1 140.43 52.89 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 112.496 -2.138 . . . . 0.0 106.045 166.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' B' ' 27' ' ' PHE . 43.8 t -99.17 178.04 5.03 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -93.58 3.93 54.74 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.05 -13.39 54.65 Favored Glycine 0 C--N 1.363 2.054 0 N-CA-C 115.365 0.906 . . . . 0.0 115.365 170.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 34.1 t80 81.06 -56.66 0.29 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.007 1.723 . . . . 0.0 110.748 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -154.76 -55.89 0.1 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.071 0.548 . . . . 0.0 109.93 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.464 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -158.38 -172.29 3.81 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.995 0.918 . . . . 0.0 108.947 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -42.17 67.61 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 119.019 0.827 . . . . 0.0 111.865 -174.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.99 95.67 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.14 0.495 . . . . 0.0 110.589 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.464 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 16.5 m -66.72 -23.96 66.17 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.245 175.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.26 -40.49 64.56 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.028 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 mp -56.99 -48.9 80.89 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 CA-C-N 118.857 0.753 . . . . 0.0 110.092 170.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -59.41 -39.19 82.65 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.687 0.756 . . . . 0.0 110.637 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -62.79 -52.09 64.53 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.252 174.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.537 ' HA ' HG12 ' B' ' 45' ' ' ILE . 87.2 mt -60.05 -24.09 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.106 0.563 . . . . 0.0 111.604 177.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 44.8 mt-10 -65.95 -34.16 77.48 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 119.16 -0.447 . . . . 0.0 109.857 177.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 21.7 m -56.3 -40.47 74.37 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.643 0.59 . . . . 0.0 111.676 169.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.538 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.0 mm -66.48 -39.89 85.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.755 -174.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.1 mmmm -63.63 -27.73 69.43 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.398 -176.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 19.2 mmt180 -71.19 -54.17 11.92 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.58 -170.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -164.3 15.57 0.05 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -170.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.538 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 13.6 t -68.63 -33.3 73.78 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.552 -0.718 . . . . 0.0 112.121 -177.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -65.7 -15.25 62.62 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 172.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.37 -7.38 28.35 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-O 119.471 -0.627 . . . . 0.0 114.045 171.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.32 129.58 40.18 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.115 0.966 . . . . 0.0 112.427 -175.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.48 154.46 24.44 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.01 0.924 . . . . 0.0 111.8 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.6 m -111.07 100.38 9.07 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.199 0.6 . . . . 0.0 110.311 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 58.5 t -99.72 125.62 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.741 0.816 . . . . 0.0 110.286 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.451 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 8.8 t70 -104.88 110.39 22.74 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.529 0.731 . . . . 0.0 109.867 174.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.46 -19.49 29.51 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.579 1.152 . . . . 0.0 112.426 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.709 HG23 ' HD3' ' A' ' 35' ' ' LYS . 12.3 t -98.14 15.87 22.98 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.178 0.514 . . . . 0.0 111.139 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 166.846 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.2 ttm . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -154.19 176.08 12.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.054 0.942 . . . . 0.0 110.455 175.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.539 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -159.96 176.66 11.61 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.797 -173.571 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -100.79 119.58 38.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.489 1.116 . . . . 0.0 109.346 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -94.93 112.91 24.59 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.411 HD11 HD12 ' A' ' 42' ' ' ILE . 51.7 mt -106.51 121.55 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.617 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 47.0 p90 -158.1 -175.85 5.58 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.4 0.619 . . . . 0.0 110.792 177.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -119.06 145.84 45.57 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 171.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -104.26 -179.03 3.83 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -177.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -35.45 1.78 Allowed 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 126.085 1.754 . . . . 0.0 114.815 -173.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.28 9.73 4.35 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.549 0.739 . . . . 0.0 112.115 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.41 24.53 63.83 Favored Glycine 0 C--N 1.357 1.717 0 C-N-CA 123.899 0.761 . . . . 0.0 112.047 -169.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -98.78 134.49 41.6 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -168.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.464 ' O ' ' HD3' ' A' ' 15' ' ' ARG . 57.1 m-85 -92.24 130.1 38.03 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -172.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.464 ' HD3' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -139.25 137.11 35.64 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.774 1.63 . . . . 0.0 108.511 -179.409 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -118.69 133.37 55.9 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 167.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -127.03 158.13 37.77 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.953 0.901 . . . . 0.0 108.982 -174.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.667 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 14.1 t80 -116.48 132.42 56.68 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -100.3 179.96 4.3 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.64 -1.163 . . . . 0.0 111.147 -171.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.41 160.08 36.14 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.434 1.094 . . . . 0.0 108.666 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.1 m -44.38 -37.2 3.22 Favored 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -102.76 16.15 27.31 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 122.655 0.382 . . . . 0.0 111.873 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.23 12.28 65.68 Favored Glycine 0 N--CA 1.472 1.072 0 N-CA-C 114.853 0.701 . . . . 0.0 114.853 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -76.91 157.91 31.06 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.989 0.516 . . . . 0.0 110.512 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.9 m -120.27 139.41 52.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.155 0.582 . . . . 0.0 109.441 174.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.667 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.8 ppp? -115.84 -24.78 8.02 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.779 0.832 . . . . 0.0 111.722 -174.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.434 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 3.1 p90 -147.12 154.62 41.34 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.5 0.667 . . . . 0.0 111.241 168.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.5 t -127.08 135.03 50.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 166.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 35.8 t -93.48 -175.72 3.88 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -87.94 -4.68 58.8 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 171.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.45 -18.25 55.26 Favored Glycine 0 C--N 1.356 1.669 0 C-N-CA 123.532 0.587 . . . . 0.0 113.473 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.2 t80 81.81 -51.19 0.24 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.218 1.807 . . . . 0.0 110.925 174.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -162.2 -53.97 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.859 0.864 . . . . 0.0 109.489 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.1 -171.67 3.14 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.15 0.98 . . . . 0.0 108.462 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.37 -40.05 74.22 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 118.736 0.698 . . . . 0.0 112.242 -173.682 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.438 ' N ' ' HD3' ' A' ' 35' ' ' LYS . . . -60.76 -42.93 98.4 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 118.135 0.425 . . . . 0.0 110.942 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -67.95 -25.98 65.72 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.088 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.3 -47.06 52.82 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 123.741 0.65 . . . . 0.0 110.875 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.426 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.1 mp -53.51 -53.27 25.98 Favored 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 123.17 0.588 . . . . 0.0 110.52 171.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -61.21 -36.27 79.45 Favored 'General case' 0 C--O 1.255 1.394 0 O-C-N 123.662 0.601 . . . . 0.0 111.764 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -61.1 -54.15 48.14 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 174.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.45 ' HA ' HG12 ' A' ' 45' ' ' ILE . 94.3 mt -60.08 -22.0 23.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 123.143 0.577 . . . . 0.0 112.069 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 44.7 mt-10 -71.12 -27.42 63.56 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 122.111 -0.368 . . . . 0.0 110.049 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 39.1 m -55.92 -41.69 74.95 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 123.727 0.642 . . . . 0.0 112.028 165.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.45 HG12 ' HA ' ' A' ' 42' ' ' ILE . 4.3 mm -68.9 -40.08 80.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -173.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.4 mmmm -64.51 -18.68 65.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.073 0.949 . . . . 0.0 113.255 -176.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 28.0 mmt180 -70.49 -69.83 0.34 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 124.036 0.835 . . . . 0.0 111.709 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -154.96 16.28 0.42 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.536 0.734 . . . . 0.0 110.502 -170.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.431 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.7 t -64.78 -31.86 73.28 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.535 -0.728 . . . . 0.0 112.655 -174.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.84 -25.72 68.29 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.783 0.433 . . . . 0.0 111.781 172.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.41 4.82 33.18 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.835 -0.425 . . . . 0.0 113.603 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.6 174.82 0.7 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.691 0.796 . . . . 0.0 112.091 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.599 ' HB2' ' HB3' ' B' ' 3' ' ' LYS . 10.1 m-20 -100.63 153.94 19.0 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.9 m -115.86 108.03 15.78 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.099 0.56 . . . . 0.0 109.697 175.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -109.12 127.74 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.245 1.018 . . . . 0.0 109.731 -177.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -107.29 110.03 21.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.314 0.646 . . . . 0.0 109.562 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.485 ' HB2' ' HB3' ' B' ' 7' ' ' TYR . 2.6 mm? -83.16 -19.4 36.69 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.563 1.145 . . . . 0.0 111.985 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.519 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.5 t -88.38 25.07 1.74 Allowed 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -172.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.473 0.697 0 C-N-CA 124.805 1.242 . . . . 0.0 108.564 166.447 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.4 ttt . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -76.5 177.9 7.05 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.519 0.728 . . . . 0.0 112.552 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LYS . . . . . 0.599 ' HB3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -164.17 177.01 8.71 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.541 -171.36 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -100.71 119.6 38.84 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.466 1.107 . . . . 0.0 109.32 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -95.11 112.44 24.14 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mt -106.16 121.0 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.519 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 27.3 p90 -158.24 -175.97 5.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.45 0.643 . . . . 0.0 111.546 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -118.66 146.88 44.34 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 172.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -106.3 179.65 4.21 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -43.64 -35.39 1.76 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.086 1.754 . . . . 0.0 114.844 -172.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.27 10.18 3.92 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.437 0.695 . . . . 0.0 112.104 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.55 24.68 64.3 Favored Glycine 0 C--N 1.356 1.663 0 C-N-CA 123.79 0.71 . . . . 0.0 112.061 -169.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -99.09 133.35 43.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.352 0.661 . . . . 0.0 109.502 -168.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -91.84 130.0 37.69 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -172.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.87 137.33 34.81 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.495 1.518 . . . . 0.0 108.816 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -118.49 133.12 56.12 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 167.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.27 158.25 37.69 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.992 0.917 . . . . 0.0 110.028 -175.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.644 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 15.8 t80 -116.4 132.09 56.77 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -100.5 179.51 4.42 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.062 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.76 159.33 37.61 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.592 1.157 . . . . 0.0 108.899 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 37.2 m -43.81 -37.01 2.54 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -102.9 16.26 27.11 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 118.184 0.447 . . . . 0.0 111.684 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.45 11.75 65.98 Favored Glycine 0 N--CA 1.474 1.218 0 N-CA-C 114.541 0.576 . . . . 0.0 114.541 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -76.24 158.23 31.81 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 117.166 0.483 . . . . 0.0 110.429 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -120.48 139.21 53.21 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.644 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.8 ppp? -115.76 -24.67 8.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.921 0.888 . . . . 0.0 111.779 -174.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.439 ' HD1' ' SD ' ' B' ' 26' ' ' MET . 3.2 p90 -147.18 154.45 41.08 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.373 0.606 . . . . 0.0 111.191 167.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.5 t -126.45 135.59 51.57 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 166.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 32.6 t -93.62 -175.66 3.84 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -177.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -88.67 -4.16 58.61 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 171.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.4 -17.76 56.49 Favored Glycine 0 C--N 1.359 1.854 0 CA-C-O 119.562 -0.577 . . . . 0.0 113.359 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 11.0 t80 81.34 -51.19 0.28 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 126.25 1.82 . . . . 0.0 110.704 174.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -162.43 -53.67 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.792 0.837 . . . . 0.0 109.514 173.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.66 -171.66 3.02 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' B' ' 36' ' ' ALA . 0.1 OUTLIER -70.54 -39.84 73.76 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 118.64 0.654 . . . . 0.0 112.127 -173.302 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.456 ' N ' ' HD3' ' B' ' 35' ' ' LYS . . . -60.55 -43.21 97.49 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 118.251 0.478 . . . . 0.0 110.968 177.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 49.4 m -68.04 -25.7 65.5 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.239 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.31 -47.07 52.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.186 0.595 . . . . 0.0 110.903 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -53.89 -52.72 33.09 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 C-N-CA 123.078 0.551 . . . . 0.0 110.378 172.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -61.37 -36.32 79.89 Favored 'General case' 0 C--O 1.257 1.448 0 C-N-CA 123.319 0.648 . . . . 0.0 111.743 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -61.17 -54.21 47.3 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 174.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.431 ' HA ' HG12 ' B' ' 45' ' ' ILE . 96.9 mt -59.86 -22.8 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.387 0.675 . . . . 0.0 112.046 178.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.461 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 43.2 mt-10 -69.85 -28.12 65.41 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 25.0 m -56.16 -41.39 75.38 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.726 0.641 . . . . 0.0 111.803 165.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.431 HG12 ' HA ' ' B' ' 42' ' ' ILE . 4.8 mm -69.14 -39.61 79.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.9 mmmm -65.64 -18.45 65.34 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.757 -176.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 51.6 mmt-85 -69.29 -71.49 0.22 Allowed 'General case' 0 N--CA 1.478 0.933 0 O-C-N 124.039 0.837 . . . . 0.0 111.532 -176.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -153.86 16.46 0.5 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.523 0.729 . . . . 0.0 110.784 -170.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.429 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.7 t -65.55 -31.31 72.29 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.08 -25.6 68.18 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 122.691 0.396 . . . . 0.0 111.674 172.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.57 5.13 32.95 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-O 119.525 -0.597 . . . . 0.0 113.638 174.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.21 175.03 0.59 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.673 0.789 . . . . 0.0 112.084 172.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 32.4 t70 -101.59 153.86 19.37 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.9 m -115.85 108.18 15.97 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 40.7 t -108.72 127.76 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.445 1.098 . . . . 0.0 109.704 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.9 t70 -107.14 110.23 22.27 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.544 0.738 . . . . 0.0 109.549 173.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.495 ' HB2' ' HB3' ' A' ' 7' ' ' TYR . 2.5 mm? -83.79 -21.42 32.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.674 1.19 . . . . 0.0 112.487 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.617 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 12.8 t -86.66 8.43 22.41 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.869 0.758 . . . . 0.0 111.686 -169.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 169.964 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -74.18 154.23 39.16 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.346 0.594 . . . . 0.0 111.203 170.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.27 176.67 9.69 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.511 -167.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -100.93 115.41 30.37 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.652 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -93.25 112.84 24.89 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.468 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 50.4 mt -101.01 109.59 25.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.678 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 32.9 p90 -132.79 -179.54 5.53 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 4.2 pt20 -123.29 143.78 49.85 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 163.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.19 159.32 27.43 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.12 0.968 . . . . 0.0 108.661 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.43 -33.04 3.64 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 125.674 1.59 . . . . 0.0 113.091 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.39 9.46 2.63 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.38 1.072 . . . . 0.0 112.256 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.72 26.54 74.44 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 124.041 0.829 . . . . 0.0 112.875 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 56.8 mt-10 -105.1 102.78 12.26 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.078 0.551 . . . . 0.0 109.711 -172.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.457 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 67.9 m-85 -54.12 128.94 32.9 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.99 0.424 . . . . 0.0 112.044 174.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.497 ' NH1' ' HA ' ' A' ' 30' ' ' GLU . 15.9 mmt180 -137.56 138.41 39.57 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.833 1.653 . . . . 0.0 108.388 -176.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -123.74 131.72 53.66 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 170.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -114.93 169.06 9.37 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.484 0.714 . . . . 0.0 110.044 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.579 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.2 t80 -123.98 133.61 53.65 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 171.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -101.91 -177.56 3.45 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.519 -1.219 . . . . 0.0 111.215 -172.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -132.17 159.92 37.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.979 1.312 . . . . 0.0 108.044 174.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.6 p -48.97 -31.98 8.36 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.429 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 86.3 m-20 -86.81 10.88 14.62 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.682 0.793 . . . . 0.0 112.381 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.91 12.55 83.87 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-O 119.89 -0.394 . . . . 0.0 113.086 -175.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.562 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 33.1 mm-40 -75.91 157.33 33.35 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.57 0.748 . . . . 0.0 110.056 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 m -119.21 150.65 39.71 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.579 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 2.1 ppp? -128.51 -29.82 2.39 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.457 0.703 . . . . 0.0 111.781 -176.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.433 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 4.4 p90 -141.34 154.55 45.74 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.558 0.617 . . . . 0.0 111.029 167.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.5 t -130.67 134.51 47.0 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 105.712 -1.958 . . . . 0.0 105.712 165.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.438 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 35.1 t -95.11 176.57 6.18 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.241 0.617 . . . . 0.0 109.637 -173.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.497 ' HA ' ' NH1' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -89.84 0.95 56.73 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.695 0.798 . . . . 0.0 110.884 171.145 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 88.24 -11.07 68.74 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-O 119.727 -0.485 . . . . 0.0 113.996 173.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 t80 78.38 -58.17 0.45 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.775 1.63 . . . . 0.0 111.458 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -158.85 -59.18 0.07 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.428 0.691 . . . . 0.0 110.148 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -151.48 -172.44 4.21 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.193 0.997 . . . . 0.0 108.482 -175.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -69.59 -47.96 61.76 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 118.918 0.781 . . . . 0.0 111.238 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.6 -41.87 77.75 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 121.346 0.593 . . . . 0.0 110.54 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.446 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.1 m -68.1 -29.23 68.11 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.056 176.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.18 64.23 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 123.596 0.758 . . . . 0.0 110.688 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.419 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.3 mp -55.64 -51.46 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.004 0.522 . . . . 0.0 110.718 172.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -59.44 -36.84 76.7 Favored 'General case' 0 C--O 1.256 1.395 0 C-N-CA 123.231 0.612 . . . . 0.0 111.443 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.452 ' HB1' ' HE2' ' B' ' 26' ' ' MET . . . -60.38 -55.9 27.92 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.352 172.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.91 -27.11 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.401 0.68 . . . . 0.0 111.623 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 45.8 mt-10 -65.1 -30.8 71.77 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 119.353 -0.356 . . . . 0.0 110.674 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 19.7 m -54.22 -41.19 68.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 123.593 0.558 . . . . 0.0 111.678 168.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.512 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.2 mm -69.37 -43.65 80.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.514 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 9.2 mmmm -60.95 -25.24 66.67 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.247 1.019 . . . . 0.0 112.816 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 12.5 mmm180 -61.57 -67.14 0.44 Allowed 'General case' 0 N--CA 1.48 1.053 0 O-C-N 124.307 1.004 . . . . 0.0 111.174 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -165.0 17.79 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.557 0.343 . . . . 0.0 111.22 -168.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.512 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.9 t -63.48 -31.98 73.3 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -172.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.36 -30.77 69.77 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.163 0.585 . . . . 0.0 111.554 172.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.5 0.56 46.28 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-O 119.239 -0.756 . . . . 0.0 113.732 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.13 163.06 10.67 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 117.675 0.738 . . . . 0.0 111.326 174.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -86.76 158.73 19.33 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 122.177 -0.327 . . . . 0.0 110.145 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.8 m -119.74 103.48 9.41 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.365 0.666 . . . . 0.0 109.759 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 t -98.62 133.38 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.087 0.955 . . . . 0.0 110.131 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.529 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 7.7 p-10 -102.98 105.65 16.02 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.012 0.925 . . . . 0.0 110.17 173.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.98 -32.28 39.81 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.295 1.038 . . . . 0.0 111.915 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.623 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.0 t -87.36 -12.42 46.43 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.788 0.435 . . . . 0.0 111.889 -167.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.412 HG23 HG23 ' A' ' 58' ' ' THR . 12.0 p . . . . . 0 N--CA 1.479 1.021 0 C-N-CA 123.548 0.739 . . . . 0.0 109.819 -171.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ttt . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -79.95 146.12 32.24 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.49 0.662 . . . . 0.0 110.111 170.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.68 176.87 10.5 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.735 -163.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -100.55 115.22 29.62 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.265 1.026 . . . . 0.0 109.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -93.44 112.69 24.66 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.529 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 47.3 mt -101.13 109.41 25.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.623 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 31.0 p90 -132.19 -178.87 5.1 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' B' ' 14' ' ' TYR . 4.2 pt20 -123.33 143.44 50.09 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 163.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -78.61 158.97 28.31 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.464 1.106 . . . . 0.0 108.727 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -46.07 -32.77 3.05 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.596 1.558 . . . . 0.0 113.265 177.883 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.416 ' N ' ' HD3' ' B' ' 10' ' ' LYS . . . -76.66 9.24 2.91 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 124.58 1.152 . . . . 0.0 112.371 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.67 26.51 74.43 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 123.893 0.759 . . . . 0.0 112.839 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.431 ' HB3' ' NH1' ' B' ' 15' ' ' ARG . 40.8 mt-10 -104.72 103.57 13.22 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 119.133 -0.46 . . . . 0.0 109.965 -173.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.441 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 79.7 m-85 -54.49 128.82 33.64 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 121.102 0.477 . . . . 0.0 111.806 174.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' B' ' 29' ' ' SER . 1.9 mpt_? -136.78 138.71 41.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.236 1.815 . . . . 0.0 108.413 -176.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -124.06 131.22 53.53 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 169.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.513 ' HD2' HG21 ' B' ' 25' ' ' THR . 28.4 mtm180 -113.37 169.08 9.21 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.931 0.892 . . . . 0.0 109.731 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.614 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 15.9 t80 -124.67 133.75 53.11 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 169.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -102.22 -177.72 3.49 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 114.519 -1.218 . . . . 0.0 111.271 -171.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -132.07 159.63 38.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.751 1.22 . . . . 0.0 108.119 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -48.55 -32.13 7.55 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.535 1.134 . . . . 0.0 113.757 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -86.3 10.31 15.22 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.791 0.836 . . . . 0.0 112.487 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.15 12.61 83.98 Favored Glycine 0 C--N 1.346 1.106 0 C-N-CA 123.031 0.348 . . . . 0.0 113.22 -175.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.567 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 30.5 mm-40 -76.35 156.65 33.11 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.724 0.81 . . . . 0.0 110.214 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.513 HG21 ' HD2' ' B' ' 17' ' ' ARG . 8.3 m -118.91 150.8 39.28 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.614 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 2.1 ppp? -128.66 -30.1 2.33 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.484 0.714 . . . . 0.0 111.867 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.432 ' N ' ' SD ' ' B' ' 26' ' ' MET . 3.8 p90 -141.06 154.22 45.85 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.435 0.636 . . . . 0.0 110.997 167.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.9 t -129.62 134.63 47.8 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 165.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.457 ' O ' ' HG3' ' B' ' 15' ' ' ARG . 40.3 t -95.78 177.48 5.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -173.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -91.48 1.89 56.81 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.226 0.61 . . . . 0.0 109.968 172.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 87.33 -10.87 67.4 Favored Glycine 0 C--N 1.352 1.461 0 C-N-CA 123.393 0.52 . . . . 0.0 114.285 174.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 26.7 t80 78.38 -57.99 0.45 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.843 1.657 . . . . 0.0 111.43 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -158.63 -59.3 0.07 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.29 0.636 . . . . 0.0 110.229 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.442 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -151.48 -172.03 4.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.218 1.007 . . . . 0.0 108.612 -175.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -46.87 64.1 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-N 118.93 0.786 . . . . 0.0 111.2 -177.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.57 -42.0 82.18 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.333 0.587 . . . . 0.0 110.516 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.442 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 8.2 m -67.85 -29.28 68.37 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.218 176.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.36 -46.32 64.33 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 123.631 0.772 . . . . 0.0 110.544 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.69 -51.46 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.175 0.59 . . . . 0.0 110.68 172.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -60.09 -36.29 77.06 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.691 0.62 . . . . 0.0 110.852 -178.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.464 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -60.78 -55.5 32.36 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 173.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 80.6 mt -57.11 -26.98 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.354 0.662 . . . . 0.0 111.691 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.524 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 45.0 mt-10 -65.13 -31.37 72.54 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 119.372 -0.347 . . . . 0.0 110.273 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 33.5 m -53.94 -41.19 67.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 123.61 0.569 . . . . 0.0 111.39 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.515 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.2 mm -69.42 -43.31 80.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -174.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.524 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 9.0 mmmm -61.51 -25.15 67.09 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.25 1.02 . . . . 0.0 112.685 -176.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 62.7 mmt-85 -61.38 -67.08 0.44 Allowed 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.296 0.998 . . . . 0.0 111.075 -177.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -165.13 17.94 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.539 0.336 . . . . 0.0 111.314 -168.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.515 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 22.6 t -63.97 -31.62 72.86 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -173.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.18 -29.72 69.97 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.897 0.479 . . . . 0.0 111.434 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.6 -0.31 46.29 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-O 119.436 -0.647 . . . . 0.0 113.481 177.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.68 163.09 9.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.465 0.706 . . . . 0.0 111.252 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -87.3 159.06 18.91 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 38.5 m -120.2 103.16 9.02 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.274 0.63 . . . . 0.0 109.69 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 57.6 t -97.99 132.92 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.245 1.018 . . . . 0.0 110.325 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.468 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 4.8 t70 -102.2 108.13 19.42 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.774 0.829 . . . . 0.0 109.81 172.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.45 -32.22 29.07 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.044 0.938 . . . . 0.0 112.369 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.678 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.3 t -81.95 -2.77 52.52 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -165.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p . . . . . 0 N--CA 1.498 1.968 0 C-N-CA 126.091 1.756 . . . . 0.0 114.887 -177.744 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttm . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -68.05 163.55 22.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.026 0.53 . . . . 0.0 111.155 167.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.5 ' HE2' ' HG2' ' A' ' 5' ' ' GLU . 0.6 OUTLIER -165.2 -179.55 5.69 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.194 -170.077 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.44 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 96.7 m-85 -100.32 114.94 28.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.364 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.5 ' HG2' ' HE2' ' A' ' 3' ' ' LYS . 37.0 mt-10 -94.35 109.77 21.58 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.533 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 30.7 mt -94.25 113.16 28.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.331 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -175.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.712 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 22.1 p90 -136.5 161.23 36.44 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -102.06 145.85 28.74 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.446 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 28.3 t70 -78.8 160.7 27.25 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -47.53 -34.53 7.7 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.392 1.477 . . . . 0.0 112.101 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.77 9.03 1.61 Allowed 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.371 1.068 . . . . 0.0 113.022 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.27 29.37 73.19 Favored Glycine 0 C--N 1.351 1.386 0 C-N-CA 124.214 0.912 . . . . 0.0 113.14 -175.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.446 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 53.7 mt-10 -95.07 93.26 7.26 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -57.44 120.63 8.56 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 121.681 0.753 . . . . 0.0 111.961 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -136.05 171.59 14.24 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.008 1.723 . . . . 0.0 109.943 -167.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -143.15 141.65 31.24 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 114.558 -1.201 . . . . 0.0 107.861 165.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' HG2' ' HB2' ' A' ' 5' ' ' GLU . 12.2 ptm180 -117.55 148.14 42.15 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.647 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 12.3 t80 -109.79 130.42 55.52 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -98.87 -178.2 3.88 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.698 -173.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.6 161.93 33.31 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.133 0.973 . . . . 0.0 109.18 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.9 p -54.24 -30.11 49.11 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.12 0.968 . . . . 0.0 113.506 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -83.96 -15.58 47.3 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.437 0.695 . . . . 0.0 111.431 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.36 50.98 3.25 Favored Glycine 0 C--N 1.343 0.939 0 C-N-CA 122.801 0.239 . . . . 0.0 112.7 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -128.0 129.55 46.91 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.8 m -85.84 129.23 34.89 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.647 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.4 ppp? -105.12 -16.86 14.67 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.568 -175.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.613 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 9.9 p90 -157.11 164.72 37.56 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 121.92 0.867 . . . . 0.0 111.15 162.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.5 t -137.28 147.38 45.64 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 112.95 -1.932 . . . . 0.0 107.111 165.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.2 m -78.36 161.04 27.47 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -176.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -33.44 74.95 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.706 0.803 . . . . 0.0 111.046 173.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' HA3' ' HB3' ' A' ' 13' ' ' GLU . . . 114.82 51.35 0.45 Allowed Glycine 0 C--N 1.337 0.603 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.712 -171.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -16.84 -65.8 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -163.56 -66.74 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.955 0.407 . . . . 0.0 111.277 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -149.59 176.37 10.7 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.651 0.78 . . . . 0.0 109.31 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -65.12 -49.58 69.4 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.147 0.579 . . . . 0.0 109.851 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.02 71.36 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.325 0.65 . . . . 0.0 110.999 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.43 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 36.3 m -69.17 -29.74 67.8 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.8 177.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.64 -48.21 64.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.155 0.582 . . . . 0.0 110.582 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.416 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 mp -58.56 -47.08 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 122.925 0.49 . . . . 0.0 110.669 173.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -55.38 -40.03 70.87 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.565 0.746 . . . . 0.0 111.457 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -62.33 -52.02 65.3 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.935 174.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.424 ' HA ' HG12 ' A' ' 45' ' ' ILE . 61.8 mt -58.76 -28.12 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 122.594 0.358 . . . . 0.0 111.754 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 47.6 mt-10 -66.12 -33.57 76.07 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 9.3 m -56.83 -39.15 73.7 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.904 0.753 . . . . 0.0 111.693 170.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.533 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.9 mm -67.51 -41.47 85.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -176.114 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.0 mmmm -64.8 -24.9 67.69 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.858 -176.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 22.0 mmt180 -64.08 -54.26 36.87 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.876 -175.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -173.0 17.43 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -170.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.533 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 20.1 t -65.18 -31.86 73.25 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.62 -0.675 . . . . 0.0 112.802 -175.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -66.19 -19.38 65.81 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 172.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.83 -4.4 34.02 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.217 0.436 . . . . 0.0 113.367 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.92 139.66 56.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.884 0.873 . . . . 0.0 111.083 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -70.61 160.71 32.04 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 122.803 0.441 . . . . 0.0 111.199 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.8 m -117.63 100.12 7.42 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.187 0.595 . . . . 0.0 110.438 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.11 122.54 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.757 1.223 . . . . 0.0 109.78 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.489 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.4 t0 -100.31 112.39 24.73 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.699 0.285 . . . . 0.0 110.965 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' B' ' 5' ' ' GLU . 26.5 mt -81.11 -32.84 33.64 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.998 0.919 . . . . 0.0 111.961 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.605 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 14.6 t -89.01 -3.54 58.69 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 122.718 0.407 . . . . 0.0 111.183 -166.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.24 0.601 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 176.499 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ttt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -65.19 158.1 27.0 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 121.071 0.462 . . . . 0.0 111.749 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.82 179.51 7.04 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.472 -165.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.501 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 86.2 m-85 -100.21 114.59 28.14 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.671 1.188 . . . . 0.0 109.412 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 57' ' ' LEU . 34.3 mt-10 -94.6 109.24 21.17 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 34.7 mt -93.81 113.2 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 -175.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.605 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 31.2 p90 -137.11 161.83 35.04 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -104.14 143.9 32.3 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 171.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.563 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 31.1 t70 -77.38 160.38 28.81 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 173.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -34.03 4.73 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.465 1.506 . . . . 0.0 112.647 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.8 9.77 2.16 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.511 1.124 . . . . 0.0 112.705 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.07 29.98 73.73 Favored Glycine 0 C--N 1.347 1.14 0 C-N-CA 124.04 0.828 . . . . 0.0 113.088 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.563 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 67.5 mm-40 -95.05 93.78 7.58 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.72 0.408 . . . . 0.0 110.143 -175.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -58.81 120.07 8.33 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.754 0.788 . . . . 0.0 112.002 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -135.11 171.44 14.43 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.254 1.821 . . . . 0.0 109.932 -167.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -143.38 141.35 30.87 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 114.518 -1.219 . . . . 0.0 107.715 165.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -117.65 149.54 40.53 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.655 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 12.3 t80 -110.61 130.37 55.58 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -99.36 -178.19 3.83 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.523 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.1 162.17 32.84 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.217 1.007 . . . . 0.0 108.871 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 46.3 m -55.05 -29.38 57.37 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -84.69 -15.1 46.44 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.177 0.591 . . . . 0.0 111.811 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.67 50.14 3.42 Favored Glycine 0 C--N 1.341 0.861 0 C-N-CA 123.126 0.393 . . . . 0.0 112.378 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -126.13 129.72 49.62 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 27.0 m -85.54 128.04 34.63 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.449 0.699 . . . . 0.0 109.698 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.655 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.5 ppp? -104.54 -16.54 15.01 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.688 -174.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.608 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 10.7 p90 -157.43 164.54 37.36 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 121.863 0.839 . . . . 0.0 110.953 162.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -136.47 146.45 46.32 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 112.966 -1.925 . . . . 0.0 106.972 165.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -77.38 161.28 28.14 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.88 -33.41 75.24 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 173.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.56 63.42 0.34 Allowed Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.9 -169.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -47.36 -53.79 12.89 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.884 1.274 . . . . 0.0 112.525 -159.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -163.61 -67.31 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.833 0.349 . . . . 0.0 111.377 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -148.63 176.93 9.93 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.649 0.78 . . . . 0.0 109.292 -174.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -64.55 -49.83 69.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.392 0.677 . . . . 0.0 109.786 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.22 -41.93 72.69 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.42 0.688 . . . . 0.0 110.684 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 13.4 m -69.48 -29.27 66.89 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.786 0.834 . . . . 0.0 111.458 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -48.23 61.51 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.238 0.615 . . . . 0.0 110.438 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 mp -58.07 -46.79 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.124 0.57 . . . . 0.0 110.822 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -57.05 -38.97 73.97 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.438 0.695 . . . . 0.0 111.235 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -62.58 -51.92 65.44 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.79 174.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.401 ' HA ' HG12 ' B' ' 45' ' ' ILE . 66.6 mt -58.94 -28.36 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 122.65 0.38 . . . . 0.0 111.602 177.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 43.7 mt-10 -66.12 -33.2 75.25 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.319 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.448 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 18.6 m -57.25 -38.84 74.43 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.821 0.701 . . . . 0.0 111.612 170.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.519 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.0 mm -67.69 -41.21 85.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -176.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.9 mmmm -65.84 -24.39 66.88 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.772 -176.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 28.1 mmt85 -63.4 -55.19 26.37 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.126 -176.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -172.05 17.51 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -170.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.519 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 18.2 t -65.18 -31.6 72.86 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.504 -0.747 . . . . 0.0 112.675 -175.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -66.16 -19.58 65.88 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.8 -4.57 34.04 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-O 119.853 -0.415 . . . . 0.0 113.637 172.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 139.08 57.05 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.809 0.844 . . . . 0.0 111.218 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -69.8 160.86 30.96 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 122.636 0.374 . . . . 0.0 111.529 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.413 HG23 HD13 ' A' ' 42' ' ' ILE . 32.4 m -117.85 100.36 7.53 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.209 0.604 . . . . 0.0 110.12 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 80.1 t -101.66 122.55 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.644 1.178 . . . . 0.0 109.756 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.533 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 10.2 t70 -100.44 112.4 24.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.566 0.346 . . . . 0.0 110.79 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -82.59 -35.32 27.18 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.407 1.083 . . . . 0.0 112.078 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.712 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.1 t -77.53 -13.33 59.94 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -161.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 66.1 p . . . . . 0 N--CA 1.483 1.195 0 CA-C-N 118.154 0.433 . . . . 0.0 110.821 178.807 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttm . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.34 157.39 19.92 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.445 0.64 . . . . 0.0 111.887 171.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -159.9 177.01 11.23 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.951 -167.725 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 97.5 m-85 -103.54 114.36 28.57 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.2 1.0 . . . . 0.0 109.893 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -95.45 110.11 22.2 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -98.29 130.56 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.626 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 44.9 p90 -144.87 178.48 7.99 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.967 0.507 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -121.07 146.84 46.31 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 167.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.551 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.1 t70 -101.41 -176.35 3.12 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -42.32 -37.69 1.6 Allowed 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 126.789 2.036 . . . . 0.0 114.569 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.644 ' HB3' ' HG3' ' A' ' 13' ' ' GLU . . . -98.68 18.93 15.68 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.93 0.892 . . . . 0.0 110.744 -174.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.27 30.57 76.98 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.728 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.644 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 37.3 mt-10 -80.86 91.71 6.01 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.996 0.518 . . . . 0.0 109.985 -172.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -55.08 106.9 0.25 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 122.779 1.276 . . . . 0.0 112.166 172.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.551 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 77.0 mtt180 -127.09 174.76 8.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 111.87 -2.423 . . . . 0.0 108.548 -175.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -163.18 166.53 23.23 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.093 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 9.2 ptp180 -144.0 171.2 14.59 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.334 1.021 . . . . 0.0 111.344 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -126.6 135.25 50.98 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -98.16 -178.27 4.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.725 -175.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.521 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . . . -135.05 162.03 33.63 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.376 174.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.7 m -47.67 -30.48 3.8 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.977 1.311 . . . . 0.0 114.454 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -85.41 3.68 38.92 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.608 0.763 . . . . 0.0 112.456 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.17 30.07 67.89 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 122.819 0.247 . . . . 0.0 112.775 -172.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.521 ' HG3' ' HB3' ' A' ' 20' ' ' ALA . 10.2 pt-20 -106.22 143.43 34.35 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.739 0.815 . . . . 0.0 109.106 177.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 m -98.92 140.93 32.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.188 0.595 . . . . 0.0 109.716 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.443 ' SD ' ' CD1' ' A' ' 27' ' ' PHE . 2.0 ppp? -113.83 -22.29 10.24 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.976 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.443 ' CD1' ' SD ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -158.89 163.92 36.15 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 162.246 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 t -168.69 173.55 7.21 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 125.186 1.554 . . . . 0.0 110.224 -173.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m 60.0 62.27 1.69 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 162.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.71 -57.45 3.85 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 163.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.66 56.5 3.11 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -169.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -72.2 -60.65 2.13 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.292 0.637 . . . . 0.0 110.074 -165.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -170.09 -72.96 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.08 0.552 . . . . 0.0 111.1 175.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.6 173.09 12.03 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.874 0.87 . . . . 0.0 109.052 -172.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -64.51 -47.17 79.87 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.919 0.487 . . . . 0.0 110.411 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.74 87.65 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.685 0.394 . . . . 0.0 110.38 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 m -67.68 -31.0 70.67 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.936 0.894 . . . . 0.0 110.165 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.44 -49.54 63.24 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.09 0.956 . . . . 0.0 110.294 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.2 -45.68 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.346 0.658 . . . . 0.0 111.099 175.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -60.27 -40.2 89.52 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.295 0.569 . . . . 0.0 111.025 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.455 ' O ' ' HE3' ' B' ' 26' ' ' MET . . . -57.13 -54.24 49.01 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.736 172.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.63 -27.76 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.891 0.876 . . . . 0.0 112.119 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.488 ' HA ' ' HG2' ' A' ' 46' ' ' LYS . 45.6 mt-10 -62.59 -30.58 71.44 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.608 0.363 . . . . 0.0 110.936 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.51 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 7.9 m -55.07 -39.39 69.22 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 168.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 5.8 mm -68.82 -46.48 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -174.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.513 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 8.1 mmmm -58.79 -26.55 64.18 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 114.504 -1.226 . . . . 0.0 112.591 -174.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.51 ' HE ' ' HA ' ' A' ' 44' ' ' SER . 70.8 mtm180 -61.28 -58.61 7.58 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.348 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -174.09 18.04 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -166.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.551 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.9 t -65.15 -33.58 76.35 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 121.461 -0.774 . . . . 0.0 112.024 -176.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -58.82 -34.16 71.2 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.819 170.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.05 -1.14 61.44 Favored Glycine 0 CA--C 1.538 1.507 0 CA-C-O 119.629 -0.539 . . . . 0.0 114.359 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.39 163.91 19.75 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.512 0.725 . . . . 0.0 111.533 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -88.87 158.21 18.17 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.4 m -120.06 105.13 10.72 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.144 0.578 . . . . 0.0 110.286 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 t -110.22 125.93 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 124.957 1.303 . . . . 0.0 110.067 -174.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -103.78 125.14 50.03 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.653 0.781 . . . . 0.0 110.801 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.1 mt -100.7 -23.05 14.72 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 125.118 1.367 . . . . 0.0 113.299 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.621 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 3.4 t -80.84 -26.95 36.66 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -165.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.441 HG22 ' HE2' ' B' ' 35' ' ' LYS . 45.6 p . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -175.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.8 ttm . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.85 164.79 22.94 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.185 0.594 . . . . 0.0 111.638 171.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.39 178.31 7.56 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.696 -168.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' B' ' 17' ' ' ARG . 98.6 m-85 -102.82 114.56 28.92 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.48 1.112 . . . . 0.0 109.829 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -96.9 110.35 22.88 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.5 mt -98.61 129.87 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.757 0.823 . . . . 0.0 109.026 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.621 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 37.2 p90 -144.33 178.41 7.94 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 122.956 0.502 . . . . 0.0 110.156 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -121.04 146.53 46.62 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 166.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.596 ' HB2' ' HD2' ' B' ' 15' ' ' ARG . 5.9 t70 -101.09 -177.02 3.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 119.102 -0.475 . . . . 0.0 109.802 -173.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -41.8 -38.17 1.43 Allowed 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 127.069 2.148 . . . . 0.0 114.675 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.646 ' HB3' ' HG3' ' B' ' 13' ' ' GLU . . . -97.71 18.99 14.38 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.848 0.859 . . . . 0.0 111.037 -175.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.84 30.82 77.98 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.96 -169.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.646 ' HG3' ' HB3' ' B' ' 11' ' ' ALA . 37.8 mt-10 -81.15 92.49 6.29 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.804 0.442 . . . . 0.0 110.07 -172.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -55.68 107.04 0.3 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.656 1.217 . . . . 0.0 111.997 172.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.596 ' HD2' ' HB2' ' B' ' 9' ' ' ASP . 85.1 mtt180 -127.11 175.32 8.21 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 111.609 -2.542 . . . . 0.0 109.231 -175.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -164.36 166.73 20.46 Favored 'General case' 0 C--O 1.247 0.923 0 C-N-CA 124.543 1.137 . . . . 0.0 109.299 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 13.7 ptt180 -144.38 170.27 16.33 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.4 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -125.9 134.95 51.42 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 171.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -98.5 -178.55 4.05 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.663 -175.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.44 160.7 37.19 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.52 1.128 . . . . 0.0 108.369 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.0 m -46.55 -31.13 2.59 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -85.46 4.95 33.28 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.507 0.723 . . . . 0.0 112.863 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.01 30.09 70.24 Favored Glycine 0 C--N 1.347 1.14 0 C-N-CA 123.22 0.438 . . . . 0.0 112.674 -173.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -105.0 144.27 32.04 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.778 0.831 . . . . 0.0 108.944 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -100.41 140.85 34.07 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.455 ' HE3' ' O ' ' A' ' 41' ' ' ALA . 1.9 ppp? -114.25 -22.37 9.98 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.978 -176.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.415 ' CD1' ' SD ' ' B' ' 26' ' ' MET . 0.0 OUTLIER -158.96 164.32 35.7 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 161.214 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.2 t -168.29 174.1 7.3 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.361 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.0 m 59.48 61.59 1.97 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 162.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -57.19 4.05 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.073 161.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.08 56.94 3.12 Favored Glycine 0 C--N 1.352 1.419 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -168.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -72.5 -60.29 2.31 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 122.791 0.437 . . . . 0.0 110.311 -165.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -169.88 -72.96 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.643 0.589 . . . . 0.0 111.241 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.5 173.84 11.23 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.946 0.898 . . . . 0.0 109.279 -172.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.507 ' HD2' ' H ' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -66.23 -45.01 82.15 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.331 0.514 . . . . 0.0 110.384 -179.453 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.435 ' N ' ' HG2' ' B' ' 35' ' ' LYS . . . -60.88 -41.97 97.04 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.742 0.417 . . . . 0.0 110.316 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.9 m -66.11 -30.74 71.3 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.852 177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.6 -49.91 60.81 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 124.059 0.943 . . . . 0.0 110.582 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mp -56.66 -46.88 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.15 0.58 . . . . 0.0 110.996 174.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 63.9 m-70 -60.62 -39.2 87.34 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.977 0.511 . . . . 0.0 111.518 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.442 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -57.8 -53.74 54.81 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.832 171.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.51 HG22 ' HD3' ' B' ' 46' ' ' LYS . 71.6 mt -57.51 -27.96 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.876 0.87 . . . . 0.0 111.916 176.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 54.3 mm-40 -61.93 -31.6 71.93 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.913 0.485 . . . . 0.0 110.579 177.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m -55.35 -39.22 69.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 123.449 0.468 . . . . 0.0 112.199 169.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.548 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.6 mm -68.53 -46.21 80.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 123.617 0.573 . . . . 0.0 109.497 -175.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.2 mmmm -59.12 -26.26 64.55 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.207 -174.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 35.2 mmt-85 -62.49 -57.02 12.71 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 114.478 -1.237 . . . . 0.0 112.135 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -175.32 17.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -165.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.548 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 27.9 t -65.35 -33.47 76.05 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.437 -0.789 . . . . 0.0 111.947 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -59.4 -32.99 70.67 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.85 171.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.05 -0.9 59.82 Favored Glycine 0 CA--C 1.536 1.38 0 CA-C-O 119.727 -0.485 . . . . 0.0 114.108 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.15 162.96 21.27 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.708 0.803 . . . . 0.0 111.58 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.422 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 18.7 t70 -87.39 157.36 19.26 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.886 0.474 . . . . 0.0 110.203 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.3 m -119.44 104.49 10.38 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.351 0.66 . . . . 0.0 109.834 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 7.5 p -110.01 126.46 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 124.672 1.189 . . . . 0.0 110.903 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -103.75 125.55 50.29 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.346 0.658 . . . . 0.0 111.531 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -101.16 -20.73 15.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.85 1.26 . . . . 0.0 112.46 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.626 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.6 t -84.59 -8.55 58.86 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -169.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 50.6 p . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.689 -0.632 . . . . 0.0 109.464 172.486 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.1 ttp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.43 163.28 27.06 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.316 0.579 . . . . 0.0 111.939 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.75 -179.63 5.98 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.788 -168.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.452 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 92.6 m-85 -100.91 121.33 41.55 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.339 1.056 . . . . 0.0 109.356 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -99.68 109.9 22.34 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.544 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 32.9 mt -96.23 119.45 44.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -176.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.698 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 50.2 p90 -141.25 169.38 17.71 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -112.43 147.74 35.82 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 170.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.636 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 16.6 t70 -76.24 160.25 29.86 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 171.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -33.76 38.28 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.995 0.918 . . . . 0.0 112.013 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.71 7.84 1.36 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.826 1.25 . . . . 0.0 112.55 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.57 29.06 71.62 Favored Glycine 0 C--N 1.343 0.959 0 C-N-CA 124.328 0.966 . . . . 0.0 113.017 -176.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.636 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 28.4 mm-40 -92.5 88.06 6.21 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -174.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -58.34 129.57 42.64 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.422 0.629 . . . . 0.0 111.738 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.476 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 91.8 mtt180 -152.88 178.22 9.9 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.23 1.812 . . . . 0.0 109.8 -169.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -151.1 156.09 40.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.902 -1.045 . . . . 0.0 108.951 173.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -129.32 158.9 37.8 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 174.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.52 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 13.9 t80 -115.18 132.36 56.63 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 177.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -98.45 -179.37 4.32 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.469 -171.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -135.22 157.94 45.63 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 125.173 1.389 . . . . 0.0 107.627 174.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 m -36.51 -42.43 0.34 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -174.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -89.86 17.14 7.01 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.61 19.25 79.35 Favored Glycine 0 N--CA 1.47 0.925 0 N-CA-C 112.8 -0.12 . . . . 0.0 112.8 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.57 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 20.5 mt-10 -81.3 155.59 25.96 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.873 0.869 . . . . 0.0 108.762 177.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.5 m -117.29 138.76 51.54 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.742 ' HE1' ' HD2' ' A' ' 27' ' ' PHE . 1.6 ppp? -114.13 -18.69 11.6 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.456 0.703 . . . . 0.0 112.028 -176.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.742 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 10.9 p90 -154.35 160.9 41.95 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.345 0.593 . . . . 0.0 111.309 162.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -124.93 132.79 53.24 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 113.706 -1.588 . . . . 0.0 107.313 169.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -94.6 167.17 11.64 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.696 0.76 . . . . 0.0 111.712 -169.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -74.3 -20.72 60.03 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.468 169.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.476 ' HA3' ' HA ' ' A' ' 15' ' ' ARG . . . 81.37 -9.29 55.46 Favored Glycine 0 C--N 1.358 1.751 0 N-CA-C 115.661 1.024 . . . . 0.0 115.661 174.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 62.6 t80 82.08 -62.13 0.16 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.374 1.47 . . . . 0.0 109.71 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -163.49 -70.04 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.941 0.496 . . . . 0.0 111.051 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.487 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -124.15 177.28 5.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.793 0.837 . . . . 0.0 109.093 -169.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HD3' ' H ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -70.14 -42.82 72.06 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.721 0.691 . . . . 0.0 110.664 -179.449 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.99 -42.81 90.9 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.1 0.476 . . . . 0.0 110.366 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.487 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 12.2 m -67.67 -29.37 68.63 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.269 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.63 -44.81 66.42 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 123.63 0.772 . . . . 0.0 110.565 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 mp -57.08 -45.54 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 122.995 0.518 . . . . 0.0 110.478 171.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -59.66 -38.45 81.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.298 0.639 . . . . 0.0 110.903 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.38 -53.94 50.12 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.414 172.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.462 ' HA ' HG12 ' A' ' 45' ' ' ILE . 71.1 mt -59.14 -25.69 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 122.978 0.511 . . . . 0.0 111.525 178.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 43.7 mt-10 -65.15 -38.04 89.32 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -53.9 -38.67 65.05 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.037 0.836 . . . . 0.0 111.711 172.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.582 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.4 mm -68.18 -43.54 84.86 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 O-C-N 123.841 0.713 . . . . 0.0 109.214 -175.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.3 mmmm -62.37 -27.47 69.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.898 -1.046 . . . . 0.0 113.069 -175.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 43' ' ' GLU . 62.2 mtt85 -71.95 -52.35 17.59 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.532 -173.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -166.98 17.06 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -170.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 18.7 t -67.19 -33.23 74.96 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 121.528 -0.733 . . . . 0.0 112.262 -178.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.599 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -64.92 -24.16 67.44 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 122.771 0.428 . . . . 0.0 111.596 172.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.97 -4.43 48.16 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 113.54 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.11 170.52 3.58 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.85 0.86 . . . . 0.0 111.331 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -99.5 157.86 16.14 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -113.09 109.38 18.72 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.606 0.762 . . . . 0.0 109.342 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.2 121.85 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.248 1.419 . . . . 0.0 109.058 -172.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.512 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.6 p-10 -103.03 110.06 21.84 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.294 0.569 . . . . 0.0 111.065 175.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.0 mt -78.08 -26.87 48.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.092 0.957 . . . . 0.0 112.457 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.722 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 5.4 t -71.96 -11.67 60.88 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -165.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 122.831 0.452 . . . . 0.0 110.302 -177.381 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.5 ttm . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.43 161.95 29.57 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.501 0.667 . . . . 0.0 111.482 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.23 -179.02 4.84 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.859 -166.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.457 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 97.3 m-85 -100.69 121.12 41.12 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.333 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -99.5 109.72 22.24 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.512 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 29.5 mt -96.1 119.57 44.34 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -176.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.722 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 14.9 p90 -141.58 169.12 18.19 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -111.76 148.39 33.61 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 170.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.485 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 22.5 t70 -76.81 160.65 29.1 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 171.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -33.54 40.86 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.026 0.93 . . . . 0.0 111.924 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.426 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . . . -72.62 8.59 1.38 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 124.726 1.21 . . . . 0.0 112.668 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.52 29.32 71.58 Favored Glycine 0 C--N 1.346 1.11 0 C-N-CA 124.297 0.951 . . . . 0.0 112.884 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.485 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 11.8 mm-40 -93.03 87.82 5.89 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -174.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.42 ' CD1' ' HB3' ' B' ' 35' ' ' LYS . 68.2 m-85 -58.05 131.59 50.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.651 0.739 . . . . 0.0 112.088 177.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.441 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 14.4 ptp180 -156.04 176.84 12.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 113.584 -1.644 . . . . 0.0 110.13 -168.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -150.07 156.36 41.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.965 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -128.85 159.48 35.63 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.491 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 14.4 t80 -116.04 132.58 56.61 Favored 'General case' 0 C--O 1.243 0.745 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -98.53 -179.73 4.42 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.453 -171.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -135.18 157.75 46.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.133 1.373 . . . . 0.0 107.784 174.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 56.3 p -35.66 -42.73 0.25 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -175.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.79 16.09 8.64 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.432 0.693 . . . . 0.0 112.668 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.91 18.81 79.34 Favored Glycine 0 C--N 1.344 1.019 0 N-CA-C 112.7 -0.16 . . . . 0.0 112.7 -175.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.589 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 12.6 mm-40 -80.02 156.02 27.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.892 0.877 . . . . 0.0 109.023 176.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 63.4 m -118.06 138.41 52.25 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.635 ' HE1' ' HD1' ' B' ' 27' ' ' PHE . 1.4 ppp? -113.89 -17.87 11.92 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.363 0.665 . . . . 0.0 111.975 -176.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.635 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 15.8 p90 -156.82 160.56 39.32 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.473 0.654 . . . . 0.0 111.682 162.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.9 m -124.03 132.79 53.73 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 113.484 -1.689 . . . . 0.0 106.947 171.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -93.37 166.99 12.01 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.784 0.802 . . . . 0.0 111.719 -169.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -75.21 -20.52 59.23 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 113.826 -1.534 . . . . 0.0 109.332 168.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' B' ' 15' ' ' ARG . . . 81.9 -9.4 56.74 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 115.38 0.912 . . . . 0.0 115.38 173.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 63.2 t80 82.11 -62.51 0.16 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.447 1.499 . . . . 0.0 109.469 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -163.44 -69.8 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.03 0.532 . . . . 0.0 111.178 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.453 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -124.13 177.34 5.87 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.913 0.885 . . . . 0.0 109.057 -169.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' B' ' 36' ' ' ALA . 2.7 pptp? -70.14 -42.46 72.51 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 118.981 0.81 . . . . 0.0 110.763 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.447 ' N ' ' HD2' ' B' ' 35' ' ' LYS . . . -59.06 -43.13 91.68 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.904 0.481 . . . . 0.0 110.213 175.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.453 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 5.3 m -67.4 -29.77 69.36 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.11 176.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.75 -44.64 66.36 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.421 0.688 . . . . 0.0 110.572 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -56.92 -46.14 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.0 0.52 . . . . 0.0 110.414 171.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -58.46 -39.16 79.12 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.282 0.633 . . . . 0.0 111.218 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.98 -54.06 49.54 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.486 172.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.491 HG22 ' HD3' ' B' ' 46' ' ' LYS . 74.2 mt -59.08 -26.11 32.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 123.023 0.529 . . . . 0.0 111.367 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.556 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 41.3 mt-10 -64.36 -38.55 91.44 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 37.9 m -53.81 -38.51 64.64 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 124.135 0.897 . . . . 0.0 111.531 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.575 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.5 mm -68.27 -43.39 84.62 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 123.901 0.75 . . . . 0.0 109.357 -175.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.3 mmmm -63.59 -26.08 68.53 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.547 -174.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 14.2 mmt180 -72.99 -51.74 17.12 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.143 -0.935 . . . . 0.0 112.289 -173.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -167.11 16.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -170.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.575 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 20.4 t -67.13 -33.53 75.65 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.228 -0.92 . . . . 0.0 112.208 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.93 -23.9 67.36 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.679 0.392 . . . . 0.0 111.673 172.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.69 -4.46 48.99 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.674 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.87 170.7 3.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.853 0.861 . . . . 0.0 111.395 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.47 158.03 16.21 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.4 m -113.12 109.33 18.62 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.336 0.654 . . . . 0.0 109.369 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 52.2 t -118.09 122.26 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.913 1.285 . . . . 0.0 108.976 -173.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.544 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 9.3 p-10 -102.94 110.37 22.26 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.37 0.605 . . . . 0.0 111.024 175.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.81 -22.71 49.62 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.615 1.166 . . . . 0.0 111.717 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.698 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.0 t -93.56 10.9 30.67 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.974 -171.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.489 1.522 0 C-N-CA 126.334 1.854 . . . . 0.0 114.486 -173.318 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.8 ttm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.14 164.41 25.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 121.213 0.53 . . . . 0.0 111.344 173.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.584 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -164.34 177.63 8.11 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.24 -165.177 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 95.8 m-85 -100.84 112.02 24.35 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.776 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.455 ' HB2' ' HG2' ' A' ' 17' ' ' ARG . 67.1 mt-10 -93.06 105.6 17.68 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 mt -99.41 120.04 48.24 Favored 'Isoleucine or valine' 0 C--N 1.345 0.37 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -175.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.536 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.0 p90 -141.1 -177.97 5.36 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -122.85 150.28 43.08 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -89.32 165.08 14.62 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 124.633 1.173 . . . . 0.0 109.299 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -45.11 -37.01 3.98 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 126.049 1.74 . . . . 0.0 112.511 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.98 10.66 2.17 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.912 0.885 . . . . 0.0 112.303 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.34 33.44 87.24 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 124.645 1.117 . . . . 0.0 112.668 -176.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -108.03 119.21 38.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.551 0.34 . . . . 0.0 110.502 -172.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.74 124.72 29.28 Favored 'General case' 0 C--N 1.345 0.377 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 42.4 mtt180 -139.92 137.59 34.92 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.798 1.239 . . . . 0.0 108.247 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.413 ' CD1' ' HA2' ' A' ' 31' ' ' GLY . 49.7 p90 -108.76 166.31 10.9 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 121.546 0.688 . . . . 0.0 109.256 170.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HD2' ' HE1' ' A' ' 7' ' ' TYR . 3.1 ptm180 -139.17 162.18 35.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.009 174.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.513 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 20.0 t80 -119.11 133.5 55.75 Favored 'General case' 0 C--O 1.245 0.863 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 173.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -102.19 -179.02 3.87 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.006 -171.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.23 172.67 10.81 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 125.611 1.564 . . . . 0.0 107.426 174.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.2 p -69.41 -32.68 71.83 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 118.981 0.81 . . . . 0.0 111.313 -161.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -92.45 16.92 10.8 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.582 0.753 . . . . 0.0 111.592 -178.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.43 19.92 63.26 Favored Glycine 0 C--N 1.346 1.12 0 N-CA-C 114.515 0.566 . . . . 0.0 114.515 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -83.62 154.18 23.88 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.033 0.533 . . . . 0.0 109.608 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 m -115.42 151.14 35.26 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.513 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 2.2 ppp? -127.02 -32.66 2.51 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.468 0.707 . . . . 0.0 112.222 -175.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.534 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 1.3 p90 -144.16 158.72 43.56 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.915 0.325 . . . . 0.0 110.166 168.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 t -163.33 -176.92 5.02 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 m 92.37 -23.02 0.07 Allowed 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 148.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.583 ' HG3' ' H ' ' B' ' 28' ' ' SER . 30.0 mm-40 -76.97 -88.21 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.05 0.841 . . . . 0.0 111.862 176.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 15' ' ' ARG . . . 82.29 0.69 90.01 Favored Glycine 0 N--CA 1.476 1.345 0 CA-C-O 119.864 -0.409 . . . . 0.0 113.619 -171.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 t80 73.16 -65.22 0.37 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.914 1.685 . . . . 0.0 111.901 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -152.95 -56.06 0.12 Allowed 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 120.925 0.393 . . . . 0.0 110.751 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.474 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -141.11 -174.14 3.92 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.241 1.017 . . . . 0.0 108.747 -175.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -62.71 -46.19 89.25 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 118.644 0.656 . . . . 0.0 110.571 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.02 -47.64 68.17 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.22 0.608 . . . . 0.0 111.041 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.474 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.8 m -71.23 -27.17 63.28 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.397 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.95 -55.0 21.73 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 123.711 0.804 . . . . 0.0 110.236 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.407 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.3 mp -55.86 -47.83 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 123.349 0.66 . . . . 0.0 111.234 175.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -55.72 -44.21 77.27 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.876 0.47 . . . . 0.0 111.317 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.36 -54.67 44.22 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.096 173.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.4 mt -56.18 -30.0 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.171 0.589 . . . . 0.0 111.904 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 44.2 mt-10 -64.27 -33.07 74.97 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.701 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.9 m -53.57 -41.18 66.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 123.573 0.546 . . . . 0.0 111.473 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.576 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.2 mm -69.1 -45.68 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.212 -174.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 8.6 mmmm -61.88 -24.59 67.03 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.027 -176.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 37.3 mmt180 -65.37 -57.96 7.07 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 123.764 0.665 . . . . 0.0 111.67 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -167.74 16.17 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -166.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.576 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.6 t -67.73 -32.77 73.62 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.262 -0.899 . . . . 0.0 112.927 -172.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.61 -30.41 71.33 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 122.577 0.351 . . . . 0.0 111.707 172.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.08 -0.05 57.31 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 115.867 -0.606 . . . . 0.0 113.774 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.04 167.71 7.52 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.572 0.749 . . . . 0.0 111.548 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.62 ' HB3' ' HB3' ' B' ' 3' ' ' LYS . 32.9 t70 -88.83 156.59 18.85 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.6 m -125.28 116.41 21.91 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.19 136.58 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.135 0.974 . . . . 0.0 110.981 -171.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -100.28 114.26 27.59 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.967 0.907 . . . . 0.0 109.748 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -79.27 -18.28 53.04 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.518 1.127 . . . . 0.0 110.926 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.599 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 7.3 t -89.56 11.53 19.31 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.876 0.87 . . . . 0.0 111.629 -174.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 170.671 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 45.2 ttm . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.59 161.01 24.09 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.218 0.532 . . . . 0.0 111.366 174.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -160.55 176.76 11.23 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.075 -165.24 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.411 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 92.7 m-85 -100.8 111.82 24.12 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.834 178.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -93.11 105.84 17.88 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mt -99.92 119.89 48.6 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.599 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 24.7 p90 -140.98 -178.86 5.76 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -121.33 149.82 42.37 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 168.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.437 ' HB2' ' HD3' ' B' ' 15' ' ' ARG . 32.8 t70 -89.3 165.7 14.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.515 1.126 . . . . 0.0 109.463 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -45.88 -36.37 5.29 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.992 1.717 . . . . 0.0 112.603 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.42 10.55 2.48 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.973 0.909 . . . . 0.0 112.079 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.56 33.2 86.59 Favored Glycine 0 C--N 1.347 1.169 0 C-N-CA 124.401 1.001 . . . . 0.0 113.004 -175.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.402 ' O ' ' HD2' ' B' ' 15' ' ' ARG . 47.3 mt-10 -108.24 109.26 20.58 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 122.463 0.305 . . . . 0.0 110.637 -172.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -64.83 124.42 21.94 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.368 0.604 . . . . 0.0 112.532 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.498 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 0.0 OUTLIER -141.94 139.36 32.47 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 113.828 -1.533 . . . . 0.0 109.711 177.649 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -108.75 166.44 10.8 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-O 121.767 0.794 . . . . 0.0 109.583 171.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -139.6 162.34 35.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.605 -1.634 . . . . 0.0 109.489 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.519 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.9 t80 -119.16 133.09 55.98 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 173.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -101.96 -178.86 3.83 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.117 -171.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.14 161.5 29.92 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.685 1.594 . . . . 0.0 107.547 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 75.3 p -49.72 -38.3 32.85 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -94.34 17.27 13.18 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 122.8 0.44 . . . . 0.0 110.801 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.56 19.54 61.78 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 114.528 0.571 . . . . 0.0 114.528 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -83.9 154.42 23.43 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -114.81 151.26 34.14 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.519 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 2.2 ppp? -127.41 -32.7 2.41 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.595 0.758 . . . . 0.0 112.258 -176.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.426 ' HD2' ' HE1' ' B' ' 26' ' ' MET . 1.9 p90 -144.36 158.83 43.54 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 118.06 0.391 . . . . 0.0 110.163 168.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.583 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 33.2 m -162.82 -177.4 5.5 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.824 1.25 . . . . 0.0 111.16 -174.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 43.5 t 93.41 -23.87 0.05 Allowed 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 147.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -77.49 -87.89 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 118.687 0.676 . . . . 0.0 111.358 178.02 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' B' ' 15' ' ' ARG . . . 80.95 2.02 90.14 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-O 120.004 -0.331 . . . . 0.0 113.534 -171.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 t80 72.48 -64.71 0.38 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 126.083 1.753 . . . . 0.0 112.067 174.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -153.47 -56.54 0.12 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.008 0.523 . . . . 0.0 110.624 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.457 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -140.98 -174.17 3.92 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.203 1.001 . . . . 0.0 108.801 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -61.96 -46.7 88.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.662 0.785 . . . . 0.0 110.245 178.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.16 -47.35 68.86 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.465 0.706 . . . . 0.0 110.968 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.457 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 5.8 m -72.68 -26.8 61.76 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.084 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -54.75 24.51 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 123.536 0.734 . . . . 0.0 109.957 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.76 -47.85 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.555 0.742 . . . . 0.0 111.194 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -56.16 -43.44 78.32 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 123.57 0.544 . . . . 0.0 111.152 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.447 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -58.16 -54.56 45.56 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.034 174.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 65.4 mt -55.78 -30.59 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 123.342 0.657 . . . . 0.0 111.737 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 42.6 mt-10 -63.45 -33.76 76.28 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 119.073 -0.489 . . . . 0.0 110.471 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 37.9 m -53.39 -41.27 65.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 123.739 0.649 . . . . 0.0 111.509 170.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.0 mm -69.24 -45.51 79.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.191 -174.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.7 mmmm -63.05 -23.26 67.37 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.694 -176.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 22.8 mmm180 -66.67 -57.76 6.52 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.5 0.5 . . . . 0.0 111.545 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -166.94 16.51 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -166.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.568 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 20.2 t -67.31 -33.1 74.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.527 -0.733 . . . . 0.0 112.821 -172.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.47 -30.86 71.56 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.576 0.35 . . . . 0.0 111.593 172.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.0 0.56 57.53 Favored Glycine 0 C--N 1.351 1.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 113.826 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.29 167.59 8.18 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.575 0.75 . . . . 0.0 111.555 176.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.584 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 26.0 t70 -88.83 156.61 18.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.097 0.559 . . . . 0.0 109.637 175.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 47.2 m -125.3 116.55 22.11 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.7 p -130.98 137.73 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.106 0.962 . . . . 0.0 110.93 -171.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.3 116.04 31.82 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.393 0.677 . . . . 0.0 109.978 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.61 -24.35 36.47 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.418 1.087 . . . . 0.0 112.362 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.536 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.5 t -88.22 16.73 5.84 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 120.011 1.278 . . . . 0.0 111.187 -170.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 36.6 p . . . . . 0 N--CA 1.477 0.876 0 C-N-CA 124.481 1.112 . . . . 0.0 109.296 172.416 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 ttm . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -61.22 162.98 6.79 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.502 0.721 . . . . 0.0 112.082 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.17 179.29 6.98 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.103 -163.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -103.46 109.77 21.55 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.527 1.131 . . . . 0.0 109.035 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.465 ' HB2' ' CG ' ' A' ' 17' ' ' ARG . 35.1 mt-10 -94.93 107.8 19.84 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.438 -178.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.495 ' HA ' ' HB3' ' A' ' 16' ' ' PHE . 24.6 mt -96.17 126.1 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.041 0.936 . . . . 0.0 109.042 -172.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.65 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.0 p90 -140.49 179.97 6.36 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.263 0.554 . . . . 0.0 109.711 177.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -117.33 141.54 48.19 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 162.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.677 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.4 t70 -90.81 169.36 11.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -176.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -41.17 -37.54 0.92 Allowed 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 126.376 1.871 . . . . 0.0 113.211 -177.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.45 11.63 1.53 Allowed 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 124.166 0.986 . . . . 0.0 112.852 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.96 25.78 64.61 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 123.528 0.585 . . . . 0.0 112.695 -172.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -105.5 133.83 49.61 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -170.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -88.22 114.38 24.78 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.831 0.824 . . . . 0.0 109.723 -166.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.677 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 97.9 mtt180 -135.77 138.19 42.39 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.209 -1.814 . . . . 0.0 109.268 -171.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.495 ' HB3' ' HA ' ' A' ' 6' ' ' ILE . 32.1 p90 -124.02 169.21 11.88 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.226 0.61 . . . . 0.0 110.564 174.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.465 ' CG ' ' HB2' ' A' ' 5' ' ' GLU . 8.3 ptm180 -127.51 159.94 33.03 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.767 178.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -118.77 130.64 55.91 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 167.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -98.82 -177.79 3.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.574 -1.193 . . . . 0.0 110.811 -174.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.441 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . . . -138.46 164.33 29.66 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.475 1.11 . . . . 0.0 108.064 173.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -51.85 -31.41 27.65 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -176.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -75.75 -9.54 58.68 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.838 0.855 . . . . 0.0 111.818 -178.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.02 45.6 10.21 Favored Glycine 0 C--N 1.341 0.821 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.441 ' HG3' ' HB3' ' A' ' 20' ' ' ALA . 7.7 pt-20 -125.12 142.23 51.62 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.998 0.919 . . . . 0.0 109.063 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 m -96.62 131.06 43.65 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.532 0.733 . . . . 0.0 109.703 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.477 ' HB2' ' HE2' ' A' ' 26' ' ' MET . 1.0 OUTLIER -108.69 -17.95 13.83 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.283 -176.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' HD2' ' HG2' ' B' ' 30' ' ' GLU . 0.0 OUTLIER -163.68 165.84 22.85 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 160.122 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.7 p -178.31 172.52 1.51 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 114.469 -1.241 . . . . 0.0 111.278 -170.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m 64.63 24.21 12.94 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 165.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.506 ' HG2' ' HD2' ' B' ' 27' ' ' PHE . 0.0 OUTLIER -52.7 -36.33 57.08 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.398 1.079 . . . . 0.0 111.437 170.135 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.49 55.5 20.27 Favored Glycine 0 C--N 1.36 1.87 0 CA-C-O 119.262 -0.743 . . . . 0.0 112.598 172.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -69.51 -62.84 1.22 Allowed 'General case' 0 C--N 1.353 0.76 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -167.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -171.93 -74.54 0.01 OUTLIER 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.579 0.549 . . . . 0.0 112.185 163.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.34 172.52 8.6 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.352 0.661 . . . . 0.0 109.684 -168.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 2.5 pptp? -67.25 -43.41 81.96 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.601 0.637 . . . . 0.0 111.306 -177.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -56.63 -40.67 75.79 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.79 0.436 . . . . 0.0 110.857 175.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.7 m -71.83 -30.73 65.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.822 0.849 . . . . 0.0 111.093 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.81 -54.38 16.19 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.604 0.762 . . . . 0.0 110.824 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.88 -46.8 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.207 0.603 . . . . 0.0 110.91 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -55.83 -40.81 73.33 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.973 0.509 . . . . 0.0 111.659 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.35 -52.06 67.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.2 0.6 . . . . 0.0 110.058 173.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.438 ' HA ' HG12 ' A' ' 45' ' ' ILE . 71.0 mt -60.07 -27.74 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.788 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.6 mt-10 -67.45 -32.71 73.76 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 119.116 -0.469 . . . . 0.0 110.19 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.1 m -57.45 -39.22 75.82 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.628 0.58 . . . . 0.0 111.567 171.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.504 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.6 mm -67.04 -42.61 88.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -175.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.614 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.2 mmmm -59.78 -26.33 65.63 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -177.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 29.7 mmt180 -71.42 -50.29 33.35 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.963 -171.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -170.35 18.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.504 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 7.7 t -62.31 -37.29 85.0 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.551 -0.718 . . . . 0.0 112.221 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.608 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.09 -24.94 68.13 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.353 174.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.66 -11.72 46.42 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.675 173.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.73 138.86 56.57 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.9 0.88 . . . . 0.0 111.087 -175.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -68.13 159.33 31.19 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.809 0.444 . . . . 0.0 111.365 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -115.32 102.52 9.93 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' B' ' 5' ' ' GLU . 7.1 p -104.41 127.86 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.95 0.9 . . . . 0.0 110.196 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -107.18 121.13 43.9 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 122.847 0.459 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -96.56 -20.55 18.27 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.518 1.127 . . . . 0.0 112.784 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.638 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 8.8 t -86.57 5.06 37.43 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 122.801 0.44 . . . . 0.0 111.678 -172.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.935 0 C-N-CA 123.708 0.803 . . . . 0.0 109.863 167.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttm . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -68.34 162.66 24.77 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.549 0.69 . . . . 0.0 111.827 170.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.95 178.94 7.35 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.015 -167.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.415 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 97.0 m-85 -103.29 109.48 21.1 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.607 1.163 . . . . 0.0 109.284 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.424 ' HA ' HG13 ' A' ' 55' ' ' VAL . 79.4 mt-10 -94.24 106.04 18.02 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.58 0.752 . . . . 0.0 109.187 -177.099 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.47 ' HA ' ' HB3' ' B' ' 16' ' ' PHE . 23.6 mt -95.8 125.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.838 0.855 . . . . 0.0 109.082 -172.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.673 ' HE1' ' HG3' ' B' ' 17' ' ' ARG . 47.1 p90 -140.51 -179.46 6.03 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.336 0.589 . . . . 0.0 109.702 176.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -116.75 141.58 48.02 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 163.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -92.01 169.41 10.68 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -41.05 -37.43 0.84 Allowed 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 126.358 1.863 . . . . 0.0 113.243 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.55 11.75 1.52 Allowed 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 124.328 1.051 . . . . 0.0 112.757 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.33 26.16 63.66 Favored Glycine 0 C--N 1.352 1.458 0 C-N-CA 123.714 0.674 . . . . 0.0 112.69 -172.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -104.88 133.08 50.29 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -170.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -88.05 114.19 24.42 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.901 0.857 . . . . 0.0 109.825 -166.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -135.64 137.75 42.18 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 113.127 -1.851 . . . . 0.0 109.393 -170.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.47 ' HB3' ' HA ' ' B' ' 6' ' ' ILE . 32.5 p90 -124.02 168.37 12.93 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.445 0.64 . . . . 0.0 110.478 174.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.673 ' HG3' ' HE1' ' B' ' 7' ' ' TYR . 16.7 mtm180 -125.1 159.92 30.29 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.326 -1.306 . . . . 0.0 109.436 178.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -119.03 130.83 55.86 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 165.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -98.61 -177.78 3.78 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.94 -174.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.83 163.91 30.24 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.514 1.125 . . . . 0.0 108.191 173.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.9 p -52.35 -30.75 30.19 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -75.57 -9.59 58.71 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 123.689 0.795 . . . . 0.0 111.793 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.22 46.06 9.5 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -173.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -125.69 141.97 51.75 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.201 1.0 . . . . 0.0 108.97 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 90.9 m -96.01 131.58 42.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.451 0.7 . . . . 0.0 109.555 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.436 ' HE1' ' CD1' ' B' ' 27' ' ' PHE . 1.1 ppp? -108.96 -18.07 13.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.272 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.506 ' HD2' ' HG2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -163.95 166.03 22.04 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 160.436 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.454 ' CB ' ' HG2' ' B' ' 17' ' ' ARG . 58.9 p -178.06 173.02 1.54 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.583 -169.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m 63.36 24.62 14.29 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 164.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.499 ' HG2' ' HD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -52.6 -35.93 55.19 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.402 1.081 . . . . 0.0 111.528 169.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.53 54.94 23.18 Favored Glycine 0 C--N 1.359 1.859 0 CA-C-O 119.223 -0.765 . . . . 0.0 112.404 172.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -69.19 -62.83 1.22 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -167.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -172.24 -74.93 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 O-C-N 123.639 0.587 . . . . 0.0 112.123 163.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.18 171.5 9.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.321 0.648 . . . . 0.0 109.322 -167.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.48 ' HZ2' HG23 ' A' ' 58' ' ' THR . 14.6 tttp -65.99 -45.02 83.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.26 0.624 . . . . 0.0 110.966 -177.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.65 -41.02 73.02 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.931 0.492 . . . . 0.0 111.03 174.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.7 m -72.05 -30.78 65.51 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.747 0.819 . . . . 0.0 111.187 176.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.21 -54.64 16.37 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 123.794 0.838 . . . . 0.0 110.833 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.413 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.4 mp -56.68 -47.06 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.185 0.594 . . . . 0.0 110.813 174.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -56.43 -40.36 74.63 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 123.518 0.511 . . . . 0.0 111.385 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.15 -52.39 65.91 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.059 0.544 . . . . 0.0 110.184 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.427 ' HA ' HG12 ' B' ' 45' ' ' ILE . 70.9 mt -59.5 -28.3 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 122.956 0.502 . . . . 0.0 111.894 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.521 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 46.4 mt-10 -67.46 -31.78 72.17 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.587 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 28.6 m -58.08 -39.0 77.47 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.439 0.462 . . . . 0.0 111.723 170.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.468 ' HA ' ' HB3' ' B' ' 49' ' ' SER . 2.6 mm -67.47 -42.35 87.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.608 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.5 mmmm -60.15 -26.43 66.29 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 31.5 mmt180 -70.38 -49.99 43.38 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.705 -172.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -170.99 17.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -169.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.468 ' HB3' ' HA ' ' B' ' 45' ' ' ILE . 87.4 p -61.59 -38.35 87.22 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 118.765 0.711 . . . . 0.0 112.052 -176.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.52 -24.9 67.74 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.633 0.773 . . . . 0.0 112.302 175.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.86 -12.13 44.39 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.771 -0.46 . . . . 0.0 113.578 173.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.48 138.98 57.01 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.862 0.865 . . . . 0.0 111.116 -175.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -69.53 159.67 32.9 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.922 0.391 . . . . 0.0 111.345 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.3 m -115.0 101.84 9.39 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 90.6 t -103.14 126.97 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.518 1.127 . . . . 0.0 109.545 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.423 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.2 t70 -106.84 121.4 44.34 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.112 0.565 . . . . 0.0 110.784 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.21 -24.04 15.89 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.969 1.307 . . . . 0.0 112.57 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.65 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.2 t -78.56 -30.75 47.03 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -165.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -176.809 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.4 ttm . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.4 ' OH ' ' HB2' ' B' ' 47' ' ' ARG . 0.9 OUTLIER -155.13 174.41 15.24 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.163 0.985 . . . . 0.0 110.332 177.235 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.8 OUTLIER -164.44 176.31 9.15 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.248 0.547 . . . . 0.0 111.699 -173.761 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -95.29 112.85 24.5 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.595 1.158 . . . . 0.0 108.545 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -93.67 106.04 18.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.554 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 21.4 mt -99.93 120.67 49.66 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -177.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.553 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 34.4 p90 -138.12 -177.25 4.74 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -122.03 151.73 40.53 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 161.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 31.0 t70 -81.54 164.55 21.87 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.88 -35.65 10.79 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.332 1.453 . . . . 0.0 111.411 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.3 13.56 1.15 Allowed 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 115.179 -0.918 . . . . 0.0 112.224 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.06 21.64 77.01 Favored Glycine 0 C--N 1.349 1.254 0 C-N-CA 124.435 1.017 . . . . 0.0 113.34 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 36.3 mt-10 -95.79 96.83 9.23 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.354 0.261 . . . . 0.0 111.269 -168.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.48 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 74.6 m-85 -52.86 124.32 13.76 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.056 0.542 . . . . 0.0 111.579 174.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -146.7 136.69 23.4 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 126.069 1.748 . . . . 0.0 108.161 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -116.19 133.45 56.01 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 172.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -110.19 161.54 15.47 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.628 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 11.6 t80 -117.59 134.1 55.24 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 175.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -96.88 -178.6 4.28 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.866 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.522 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . . . -136.06 165.67 25.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.891 177.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.7 p -57.72 -27.45 62.99 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.713 0.805 . . . . 0.0 112.663 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -75.89 -7.65 55.03 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.883 0.873 . . . . 0.0 111.559 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.53 42.23 55.96 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -173.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.522 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 17.1 pt-20 -121.32 138.56 54.19 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.6 m -88.61 138.36 31.49 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.628 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.1 ppp? -115.18 -11.83 11.96 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.887 -177.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.611 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 9.5 p90 -162.84 158.94 23.29 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.174 0.511 . . . . 0.0 111.247 162.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 t -120.19 132.63 55.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 113.099 -1.864 . . . . 0.0 106.058 169.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.6 ' HB3' ' HE2' ' A' ' 27' ' ' PHE . 95.4 p -98.6 178.62 4.95 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.431 1.014 . . . . 0.0 111.782 -171.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.49 -28.92 68.25 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.38 -1.736 . . . . 0.0 110.616 168.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 79.4 -11.08 33.0 Favored Glycine 0 C--N 1.359 1.816 0 CA-C-N 116.074 -0.512 . . . . 0.0 113.839 -172.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.7 t80 80.84 -60.79 0.25 Allowed 'General case' 0 C--N 1.355 0.84 0 C-N-CA 126.329 1.852 . . . . 0.0 110.622 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -156.16 -69.12 0.11 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.854 0.462 . . . . 0.0 111.01 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.488 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -133.37 -172.99 3.09 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.276 1.03 . . . . 0.0 109.086 -171.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -48.72 64.26 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 118.406 0.548 . . . . 0.0 109.654 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.78 88.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.224 0.61 . . . . 0.0 110.698 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.488 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 4.4 m -71.22 -29.91 65.72 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.657 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.02 -43.33 71.55 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.222 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.73 -48.3 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.455 0.702 . . . . 0.0 110.471 171.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -58.53 -39.43 80.13 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.387 0.675 . . . . 0.0 110.594 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -61.1 -52.47 64.78 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.033 174.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.604 ' HA ' HG12 ' A' ' 45' ' ' ILE . 94.3 mt -60.65 -25.19 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.114 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.6 mt-10 -67.04 -31.84 72.65 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 122.28 -0.262 . . . . 0.0 110.343 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 4.2 m -59.35 -38.86 81.45 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 123.335 0.397 . . . . 0.0 111.897 168.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.604 HG12 ' HA ' ' A' ' 42' ' ' ILE . 4.7 mm -67.16 -40.29 84.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.53 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.7 mmmm -63.62 -19.26 64.72 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 17.7 mmm180 -73.95 -55.53 6.05 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.464 -174.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -166.73 16.78 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -169.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.47 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 7.4 t -61.39 -36.87 81.47 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.381 -0.824 . . . . 0.0 112.711 -174.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.524 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.09 -22.27 66.74 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 175.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.17 -6.19 29.87 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-O 119.864 -0.409 . . . . 0.0 113.627 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.57 138.4 58.38 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.005 0.922 . . . . 0.0 111.182 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.67 151.25 47.75 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 122.863 0.465 . . . . 0.0 110.616 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.4 m -114.94 118.79 34.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.445 0.698 . . . . 0.0 109.317 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.0 t -127.97 126.13 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.434 1.094 . . . . 0.0 109.395 -172.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.537 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.9 p-10 -103.39 108.17 19.3 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.87 0.843 . . . . 0.0 110.431 172.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.06 -18.74 60.79 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.863 1.265 . . . . 0.0 111.625 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.602 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.0 t -86.76 -13.87 43.99 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.751 0.42 . . . . 0.0 111.829 -172.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -174.355 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.7 ttm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.22 170.81 9.46 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.094 0.473 . . . . 0.0 111.391 170.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -162.91 175.94 10.69 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.345 -173.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -94.32 112.8 24.61 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.607 1.163 . . . . 0.0 108.687 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -93.17 105.62 17.69 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.537 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 14.2 mt -99.53 120.31 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.602 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 27.2 p90 -137.84 -177.18 4.69 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -122.62 151.58 41.32 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 161.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.472 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 33.4 t70 -81.06 164.62 22.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 177.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -48.32 -35.67 12.79 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 125.411 1.484 . . . . 0.0 111.563 176.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.63 13.35 1.02 Allowed 'General case' 0 CA--C 1.564 1.5 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.447 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.22 21.31 77.16 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 124.273 0.94 . . . . 0.0 113.167 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 48.3 mt-10 -95.26 97.25 9.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.655 0.382 . . . . 0.0 111.086 -168.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.467 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 97.2 m-85 -53.75 124.78 16.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.879 0.472 . . . . 0.0 111.056 174.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -146.22 137.0 24.28 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 126.139 1.775 . . . . 0.0 108.192 -176.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -116.18 134.01 55.4 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -110.27 161.82 15.22 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.645 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 11.7 t80 -117.61 134.06 55.29 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 174.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -96.6 -178.84 4.4 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.764 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.33 164.82 26.87 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.282 1.033 . . . . 0.0 108.688 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 28.3 p -57.79 -26.65 62.23 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.513 0.725 . . . . 0.0 112.534 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -76.71 -6.94 54.25 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.8 0.84 . . . . 0.0 112.005 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.4 41.28 58.88 Favored Glycine 0 C--N 1.344 0.985 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 -173.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -120.66 138.55 53.87 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.2 1.0 . . . . 0.0 108.593 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 59.0 m -88.97 138.32 31.51 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.645 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.1 ppp? -115.12 -12.21 11.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.726 0.81 . . . . 0.0 111.844 -176.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.614 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 9.7 p90 -162.58 158.53 23.53 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.319 0.581 . . . . 0.0 111.342 163.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 75.6 m -119.62 133.03 55.82 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 113.171 -1.831 . . . . 0.0 106.511 168.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.611 ' HB3' ' HE2' ' B' ' 27' ' ' PHE . 92.9 p -98.7 178.66 4.92 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.415 1.007 . . . . 0.0 111.775 -171.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.31 -29.19 68.71 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.233 -1.803 . . . . 0.0 110.634 168.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 79.26 -10.92 32.89 Favored Glycine 0 C--N 1.357 1.729 0 CA-C-N 115.889 -0.596 . . . . 0.0 113.737 -172.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 72.2 t80 80.92 -61.12 0.23 Allowed 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.032 1.733 . . . . 0.0 110.508 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -156.37 -69.17 0.11 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.928 0.491 . . . . 0.0 110.824 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.489 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -133.23 -173.53 3.23 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.055 0.942 . . . . 0.0 109.447 -171.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.83 -50.59 62.1 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 118.684 0.675 . . . . 0.0 109.329 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.94 82.9 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.134 0.573 . . . . 0.0 110.966 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.489 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 2.8 m -72.33 -29.72 64.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.006 0.922 . . . . 0.0 110.539 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.13 -43.35 71.13 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.154 176.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.47 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 1.8 mp -56.99 -48.77 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.451 0.7 . . . . 0.0 110.414 171.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -57.17 -40.29 77.01 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.427 0.691 . . . . 0.0 110.758 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.51 -52.67 64.2 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.108 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.562 ' HA ' HG12 ' B' ' 45' ' ' ILE . 94.6 mt -60.33 -25.71 34.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.021 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.49 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 19.2 mm-40 -66.86 -31.88 72.79 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m -59.11 -38.63 80.02 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 168.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.562 HG12 ' HA ' ' B' ' 42' ' ' ILE . 3.6 mm -67.89 -40.07 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.4 mmmm -63.84 -18.78 64.49 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -177.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 26.7 mmt180 -74.54 -54.9 6.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.31 -173.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -167.25 16.63 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 -169.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.431 ' HB3' ' HA ' ' B' ' 45' ' ' ILE . 85.9 p -60.42 -37.74 81.84 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -175.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.2 -22.39 66.84 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.391 0.676 . . . . 0.0 112.207 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.95 -6.07 30.39 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-O 119.785 -0.453 . . . . 0.0 113.723 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.75 137.75 57.98 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.144 0.978 . . . . 0.0 111.172 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.415 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 17.2 t0 -65.49 151.2 46.95 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.196 0.598 . . . . 0.0 110.776 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.8 m -115.5 119.3 35.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.276 0.63 . . . . 0.0 109.522 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.92 126.04 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.36 1.064 . . . . 0.0 109.092 -172.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.554 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 7.8 p-10 -102.99 107.39 18.17 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.543 0.611 . . . . 0.0 110.447 171.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 60.8 mt -72.47 -15.48 61.81 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.878 1.271 . . . . 0.0 111.717 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.553 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.8 t -90.7 24.27 2.76 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 124.276 1.03 . . . . 0.0 110.54 -177.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.1 p . . . . . 0 N--CA 1.501 2.114 0 C-N-CA 126.331 1.852 . . . . 0.0 114.406 178.809 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttm . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -66.99 167.41 11.82 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 121.082 0.468 . . . . 0.0 111.339 169.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.431 ' HA ' ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -168.29 -175.42 2.57 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.366 -165.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -103.92 121.64 43.53 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.855 0.862 . . . . 0.0 108.767 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -96.45 112.51 24.22 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.9 mt -102.39 119.72 51.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.521 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 27.4 p90 -133.05 -176.49 4.14 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.58 148.73 47.66 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 170.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.95 173.87 7.22 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 123.457 0.703 . . . . 0.0 109.986 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -45.44 -33.61 2.71 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 125.752 1.908 . . . . 0.0 114.163 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.458 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -72.22 2.6 5.69 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.982 0.913 . . . . 0.0 112.315 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.9 38.33 96.39 Favored Glycine 0 C--N 1.354 1.564 0 C-N-CA 123.93 0.776 . . . . 0.0 112.301 -173.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -125.72 152.84 44.77 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -92.4 132.89 36.39 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -168.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -125.55 139.52 53.53 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.756 1.623 . . . . 0.0 109.149 -173.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.505 ' HD1' ' H ' ' A' ' 31' ' ' GLY . 5.0 p90 -106.06 157.47 17.51 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 175.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -143.49 133.03 23.55 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 124.148 0.905 . . . . 0.0 110.336 157.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.473 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.1 t80 -97.44 125.85 42.34 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 176.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -96.14 -180.0 4.86 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.446 -170.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -130.03 159.94 35.19 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.73 176.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -51.6 -32.38 28.58 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.535 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 6.7 t30 -78.3 -6.5 55.22 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.091 0.556 . . . . 0.0 111.566 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.53 12.52 69.48 Favored Glycine 0 C--N 1.346 1.085 0 C-N-CA 123.001 0.334 . . . . 0.0 112.669 -172.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.535 ' HG2' ' HB3' ' A' ' 22' ' ' ASN . 23.0 mm-40 -75.63 164.63 26.1 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.731 0.812 . . . . 0.0 110.406 175.139 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.9 m -128.78 124.23 34.92 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 176.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.473 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -99.42 -16.7 18.29 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.596 -173.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.15 165.36 19.85 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 161.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.8 p -175.4 145.37 0.74 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.841 -174.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 p 166.72 -93.81 0.0 OUTLIER 'General case' 0 C--N 1.37 1.482 0 O-C-N 124.716 1.26 . . . . 0.0 111.684 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.38 -54.65 29.47 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -157.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.505 ' H ' ' HD1' ' A' ' 16' ' ' PHE . . . 64.99 10.89 49.01 Favored Glycine 0 N--CA 1.492 2.416 0 C-N-CA 123.245 0.45 . . . . 0.0 114.203 -168.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.1 t80 71.03 -74.88 0.08 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.661 1.984 . . . . 0.0 110.273 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -167.66 -79.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.894 0.477 . . . . 0.0 111.262 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.59 165.49 11.63 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.212 1.005 . . . . 0.0 109.651 -171.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -47.82 83.56 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 119.481 1.037 . . . . 0.0 112.794 -172.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.8 -47.88 70.37 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 121.267 0.556 . . . . 0.0 110.912 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.5 m -74.7 -24.03 58.7 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.302 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.31 -55.77 12.51 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.552 0.741 . . . . 0.0 110.165 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 mp -58.87 -47.33 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.041 0.536 . . . . 0.0 110.344 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -55.76 -38.31 69.68 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 123.87 0.731 . . . . 0.0 111.848 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -60.21 -54.84 41.07 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.471 ' HA ' HG12 ' A' ' 45' ' ' ILE . 76.3 mt -61.01 -22.38 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 122.842 0.457 . . . . 0.0 111.869 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.5 mt-10 -68.64 -34.19 75.31 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.456 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 4.3 m -55.01 -36.68 65.71 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 124.137 0.898 . . . . 0.0 112.008 171.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.604 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.5 mm -68.3 -41.47 83.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -176.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.593 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -71.44 -16.16 62.37 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 123.862 0.865 . . . . 0.0 112.403 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 15.4 mmt180 -69.9 -56.14 7.85 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.566 0.541 . . . . 0.0 111.123 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -169.2 16.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -170.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.604 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.9 t -66.37 -35.75 81.14 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 121.691 -0.631 . . . . 0.0 112.693 -176.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.59 -31.21 72.0 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.773 0.32 . . . . 0.0 111.227 172.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.75 -2.59 64.88 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.838 177.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' B' ' 3' ' ' LYS . . . -71.33 164.66 25.29 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.303 0.641 . . . . 0.0 110.648 177.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -93.44 162.24 14.06 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.029 0.532 . . . . 0.0 110.181 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.7 m -112.15 99.49 8.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.72 0.808 . . . . 0.0 108.832 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.9 t -100.23 128.94 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.423 1.089 . . . . 0.0 109.641 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -110.53 110.39 21.09 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.214 0.606 . . . . 0.0 109.615 173.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.475 HD11 ' HB3' ' B' ' 5' ' ' GLU . 42.4 mt -74.86 -32.41 61.89 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.817 1.247 . . . . 0.0 112.859 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.56 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 13.1 t -93.3 0.19 56.9 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 118.487 0.585 . . . . 0.0 112.099 -162.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.645 HG21 ' HD2' ' B' ' 35' ' ' LYS . 81.1 p . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.9 ttm . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -71.89 166.63 21.72 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 121.195 0.521 . . . . 0.0 111.388 170.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LYS . . . . . 0.41 ' HA ' ' HB1' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -169.92 -175.08 1.96 Allowed 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.916 -166.746 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -103.68 122.29 44.73 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.841 0.857 . . . . 0.0 108.784 177.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.475 ' HB3' HD11 ' A' ' 57' ' ' LEU . 39.2 mt-10 -97.7 112.26 24.22 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.4 mt -101.96 119.19 49.9 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.56 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 23.2 p90 -132.6 -176.46 4.1 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.58 149.55 46.91 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 170.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.69 173.81 7.14 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 123.456 0.702 . . . . 0.0 109.714 178.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -45.86 -33.4 3.15 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 125.724 1.89 . . . . 0.0 114.094 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.454 ' N ' ' HD3' ' B' ' 10' ' ' LYS . . . -72.41 2.62 5.9 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.206 1.003 . . . . 0.0 112.171 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.75 37.98 95.51 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 123.603 0.62 . . . . 0.0 112.302 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.416 ' HB2' ' NH1' ' B' ' 15' ' ' ARG . 46.0 mt-10 -126.23 152.73 45.68 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -174.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.434 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 46.2 m-85 -91.4 132.19 36.37 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -169.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -123.43 138.81 54.51 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.427 1.891 . . . . 0.0 108.988 -174.32 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.646 ' HE1' ' HB1' ' B' ' 38' ' ' ALA . 11.6 m-85 -103.28 157.76 16.79 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 173.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -143.49 132.92 23.41 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.222 0.951 . . . . 0.0 110.626 155.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.47 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 14.6 t80 -96.81 126.02 41.67 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 175.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -96.59 179.46 4.99 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.341 -170.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -129.41 159.99 34.5 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.949 1.299 . . . . 0.0 108.876 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -51.6 -33.09 31.3 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.34 1.056 . . . . 0.0 113.578 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -77.31 -7.02 55.33 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.358 0.663 . . . . 0.0 112.129 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.97 11.71 69.64 Favored Glycine 0 N--CA 1.468 0.819 0 C-N-CA 122.909 0.29 . . . . 0.0 112.684 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 32.5 mt-10 -74.65 165.49 25.13 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.62 0.768 . . . . 0.0 110.449 174.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 12.8 m -129.58 124.01 32.74 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.562 ' HE1' ' HD1' ' B' ' 27' ' ' PHE . 1.6 ppp? -99.57 -15.82 18.48 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.771 -173.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.562 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 6.0 p90 -165.09 166.47 19.12 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.464 0.65 . . . . 0.0 110.899 161.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -175.24 146.91 0.86 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 113.473 -1.694 . . . . 0.0 108.383 -176.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.525 ' O ' ' HG3' ' B' ' 15' ' ' ARG . 2.2 m 165.33 -94.45 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 124.795 1.309 . . . . 0.0 111.718 178.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.656 ' HG2' ' H ' ' B' ' 32' ' ' TYR . 0.0 OUTLIER -63.33 -53.86 46.01 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -157.673 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 65.35 9.1 41.21 Favored Glycine 0 N--CA 1.478 1.487 0 N-CA-C 114.638 0.615 . . . . 0.0 114.638 -167.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.656 ' H ' ' HG2' ' B' ' 30' ' ' GLU . 63.0 t80 71.5 -75.59 0.07 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.563 1.945 . . . . 0.0 109.804 -177.165 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -167.1 -79.97 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.753 0.421 . . . . 0.0 111.617 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.93 165.32 11.67 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.083 0.953 . . . . 0.0 109.514 -172.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.645 ' HD2' HG21 ' A' ' 59' ' ' THR . 52.9 tttp -60.84 -49.09 78.87 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 119.222 0.919 . . . . 0.0 112.417 -172.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.94 -48.04 67.63 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.684 0.394 . . . . 0.0 110.784 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.0 m -75.1 -23.22 57.91 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.31 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.646 ' HB1' ' HE1' ' B' ' 16' ' ' PHE . . . -67.03 -56.53 9.71 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.903 0.881 . . . . 0.0 110.323 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.37 -47.61 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.291 0.637 . . . . 0.0 110.632 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -55.2 -38.82 68.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.757 0.661 . . . . 0.0 111.399 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -60.8 -54.62 42.92 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.481 ' HA ' HG12 ' B' ' 45' ' ' ILE . 77.5 mt -60.4 -23.16 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 80.0 mt-10 -68.3 -33.85 75.08 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 14.6 m -54.94 -37.06 65.95 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 123.913 0.758 . . . . 0.0 111.794 171.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.593 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.8 mm -68.2 -41.63 84.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -176.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.602 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -71.34 -16.63 62.44 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 124.038 0.935 . . . . 0.0 112.319 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 63.0 mtt180 -69.11 -56.58 7.27 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -169.57 17.02 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -170.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.593 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 17.7 t -66.62 -35.6 80.56 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.11 -32.05 73.33 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 120.65 0.262 . . . . 0.0 111.176 173.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.8 -1.78 67.58 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 116.027 -0.533 . . . . 0.0 113.011 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.431 ' HB1' ' HA ' ' A' ' 3' ' ' LYS . . . -71.65 164.29 26.18 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.318 0.647 . . . . 0.0 110.572 177.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -93.49 162.06 14.12 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.085 0.554 . . . . 0.0 110.009 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.7 m -112.26 99.92 8.41 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 39.1 t -100.48 128.75 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.183 0.993 . . . . 0.0 109.555 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -109.83 110.17 21.07 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.402 0.681 . . . . 0.0 109.973 173.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.75 -30.78 61.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.066 1.346 . . . . 0.0 112.7 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.521 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 8.2 t -96.87 14.84 23.92 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.541 -165.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.497 1.89 0 C-N-CA 125.914 1.686 . . . . 0.0 114.587 -177.91 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttp . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -66.82 156.63 35.08 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.218 0.533 . . . . 0.0 111.337 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.48 -179.11 4.76 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.611 -166.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 55.5 m-85 -103.87 117.26 33.9 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.976 -179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -94.24 113.22 25.09 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.5 mt -102.3 119.85 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.636 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 34.4 p90 -138.13 178.45 7.11 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -122.94 152.25 41.02 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 166.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.31 161.44 25.07 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -34.27 62.18 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.519 0.727 . . . . 0.0 111.194 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.56 0.62 0.3 Allowed 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 124.635 1.174 . . . . 0.0 113.768 172.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.91 20.79 69.73 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 124.536 1.065 . . . . 0.0 113.044 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -104.31 103.51 13.27 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.475 0.31 . . . . 0.0 111.438 -167.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -60.33 136.57 58.08 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.52 140.03 13.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 113.475 -1.693 . . . . 0.0 109.175 173.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -108.8 171.68 7.28 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-O 121.417 0.627 . . . . 0.0 109.989 170.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 12.5 ptp180 -148.01 167.51 24.73 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.833 174.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.509 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 12.6 t80 -118.27 132.91 56.27 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 174.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -101.07 -178.23 3.69 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.52 -173.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.13 160.07 38.93 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.517 1.127 . . . . 0.0 108.404 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.2 m -42.98 -44.11 4.49 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -89.54 -3.39 58.35 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 123.439 0.695 . . . . 0.0 111.425 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.91 22.41 8.88 Favored Glycine 0 N--CA 1.475 1.256 0 N-CA-C 114.625 0.61 . . . . 0.0 114.625 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.64 163.85 23.3 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.798 0.439 . . . . 0.0 109.91 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 m -130.47 144.45 51.41 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 172.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.509 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.8 ppp? -126.23 -22.04 4.13 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.329 0.652 . . . . 0.0 112.037 -173.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.736 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 1.4 p90 -149.82 158.51 44.24 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 117.977 0.353 . . . . 0.0 110.243 168.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -168.38 -179.13 3.82 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 125.059 1.474 . . . . 0.0 110.874 178.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 m 93.69 17.47 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.181 1.393 . . . . 0.0 113.24 156.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.701 ' HG2' ' HA ' ' B' ' 27' ' ' PHE . 11.1 tp10 -101.39 -92.96 0.3 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 123.21 0.604 . . . . 0.0 110.484 173.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.49 -20.28 38.98 Favored Glycine 0 N--CA 1.483 1.798 0 C-N-CA 123.372 0.511 . . . . 0.0 112.158 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 3.3 t80 78.92 -57.29 0.43 Allowed 'General case' 0 C--N 1.352 0.698 0 C-N-CA 126.904 2.082 . . . . 0.0 110.946 172.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -159.62 -55.39 0.06 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.683 0.793 . . . . 0.0 109.671 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.404 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -144.14 -176.2 4.92 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -177.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.525 ' O ' HD12 ' A' ' 39' ' ' ILE . 16.9 ptpt -70.1 -39.34 75.59 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.706 0.684 . . . . 0.0 110.019 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.32 88.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.285 0.634 . . . . 0.0 110.487 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.404 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 14.2 m -66.01 -27.5 68.17 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.824 175.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.11 -51.76 29.01 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.804 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 35' ' ' LYS . 4.0 mp -54.37 -53.04 33.5 Favored 'Isoleucine or valine' 0 C--N 1.374 1.646 0 CA-C-N 118.84 0.745 . . . . 0.0 109.945 175.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -57.14 -40.75 77.81 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 123.562 0.745 . . . . 0.0 111.553 -177.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -57.17 -56.56 20.19 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 173.051 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.7 -24.36 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 C-N-CA 123.753 0.821 . . . . 0.0 112.379 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 25.7 mm-40 -70.24 -26.9 64.06 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.756 -0.59 . . . . 0.0 110.244 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 58.3 m -54.35 -38.39 66.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 123.556 0.535 . . . . 0.0 111.727 165.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 5.8 mm -68.89 -39.55 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -176.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.607 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -70.41 -15.32 62.83 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.938 0.895 . . . . 0.0 112.51 179.663 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 31.3 mmm180 -63.44 -61.02 2.61 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 123.977 0.798 . . . . 0.0 110.971 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -173.14 19.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.608 0.568 . . . . 0.0 111.254 -173.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 20.5 t -65.14 -31.75 73.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -176.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.5 -27.38 69.1 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 120.865 0.364 . . . . 0.0 111.59 171.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.78 -0.15 55.24 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 115.784 -0.643 . . . . 0.0 113.195 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.35 166.86 20.74 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 117.338 0.569 . . . . 0.0 110.921 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -96.73 162.97 13.2 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.294 0.638 . . . . 0.0 109.749 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.7 m -115.42 99.47 7.4 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.078 0.951 . . . . 0.0 109.482 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.82 126.6 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.558 0.743 . . . . 0.0 110.021 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.424 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.8 p-10 -99.93 108.33 20.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.349 0.66 . . . . 0.0 110.006 176.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -74.08 -16.5 61.03 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.42 1.088 . . . . 0.0 111.627 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.56 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 11.4 t -97.81 32.97 2.19 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 124.801 1.24 . . . . 0.0 109.596 -178.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 N--CA 1.498 1.925 0 C-N-CA 124.836 1.254 . . . . 0.0 113.071 171.682 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -75.31 147.32 40.26 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.576 0.703 . . . . 0.0 110.555 166.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.96 -179.86 6.01 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 124.947 1.299 . . . . 0.0 109.434 -167.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -104.6 117.29 33.76 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.93 0.892 . . . . 0.0 109.973 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -95.14 112.97 24.61 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.441 HD11 HD12 ' B' ' 42' ' ' ILE . 61.3 mt -102.19 119.51 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.445 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.56 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 50.7 p90 -137.17 178.12 7.33 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -122.16 154.2 37.74 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 163.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.37 161.52 23.75 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -53.76 -35.75 61.6 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.695 0.798 . . . . 0.0 110.545 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.69 0.53 0.2 Allowed 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 173.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.51 21.47 69.44 Favored Glycine 0 C--N 1.361 1.96 0 C-N-CA 124.984 1.278 . . . . 0.0 112.901 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.456 ' O ' ' HD2' ' B' ' 15' ' ' ARG . 24.2 mm-40 -104.64 103.19 12.8 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.661 0.384 . . . . 0.0 110.956 -167.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -60.96 135.75 57.88 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 177.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' B' ' 13' ' ' GLU . 2.1 mpt_? -156.0 140.57 16.89 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.924 1.69 . . . . 0.0 107.997 174.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -109.47 172.63 6.74 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-O 121.404 0.621 . . . . 0.0 109.681 168.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -148.52 167.48 25.26 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.04 -1.436 . . . . 0.0 110.427 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.505 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 12.7 t80 -118.44 133.16 56.1 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 173.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -101.16 -178.21 3.68 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.48 -173.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -133.96 159.36 40.96 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.67 1.188 . . . . 0.0 108.277 175.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 65.6 p -42.52 -43.84 3.87 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -90.96 -3.14 57.52 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.692 0.397 . . . . 0.0 111.326 -174.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.36 21.65 8.7 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 114.777 0.671 . . . . 0.0 114.777 176.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 12.4 mp0 -80.33 163.58 23.8 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.952 0.501 . . . . 0.0 109.683 177.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 29.5 m -130.2 144.82 51.59 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 171.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.505 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.6 ppp? -127.13 -21.72 3.89 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.319 0.648 . . . . 0.0 112.113 -173.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.701 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 3.2 p90 -149.81 157.33 43.09 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 120.492 0.186 . . . . 0.0 110.959 167.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t -167.7 179.56 4.76 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 124.961 1.413 . . . . 0.0 110.329 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.431 ' HA ' ' HG2' ' B' ' 15' ' ' ARG . 25.2 p 94.78 19.57 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 125.763 1.625 . . . . 0.0 113.517 156.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.736 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -103.95 -94.25 0.33 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 124.504 1.121 . . . . 0.0 109.757 175.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.76 -19.49 44.78 Favored Glycine 0 C--N 1.356 1.652 0 C-N-CA 123.936 0.779 . . . . 0.0 111.785 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.5 t80 78.6 -56.95 0.45 Allowed 'General case' 0 C--N 1.354 0.795 0 C-N-CA 126.987 2.115 . . . . 0.0 111.111 172.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -159.57 -55.74 0.06 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.907 0.883 . . . . 0.0 109.55 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.418 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -144.63 -176.98 5.27 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.451 1.101 . . . . 0.0 108.077 -176.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.463 ' O ' HD12 ' B' ' 39' ' ' ILE . 0.0 OUTLIER -69.38 -40.1 77.62 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.837 0.744 . . . . 0.0 110.056 -179.436 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.1 -46.07 89.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.983 0.513 . . . . 0.0 110.557 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.418 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 18.8 m -66.31 -27.43 67.91 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.827 0.851 . . . . 0.0 110.882 175.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.26 -51.13 32.85 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.97 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.463 HD12 ' O ' ' B' ' 35' ' ' LYS . 3.6 mp -54.35 -52.69 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.846 0.748 . . . . 0.0 109.878 175.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -58.21 -40.78 82.48 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.845 0.858 . . . . 0.0 110.908 -176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -57.52 -56.07 26.64 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.441 HD12 HD11 ' B' ' 6' ' ' ILE . 77.7 mt -57.74 -24.28 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 123.804 0.842 . . . . 0.0 112.306 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' B' ' 39' ' ' ILE . 22.9 mm-40 -70.86 -26.41 63.25 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.831 -0.543 . . . . 0.0 110.356 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 27.1 m -53.95 -38.61 65.13 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 123.356 0.41 . . . . 0.0 111.8 164.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.496 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.1 mm -69.0 -39.33 79.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.609 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -70.17 -15.67 62.98 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.877 0.871 . . . . 0.0 112.355 179.603 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -63.67 -60.92 2.7 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.907 0.755 . . . . 0.0 110.981 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -172.77 19.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.449 0.468 . . . . 0.0 111.191 -173.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.496 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 21.9 t -65.01 -31.79 73.2 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.736 -0.602 . . . . 0.0 112.558 -175.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.0 -28.78 69.81 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 122.577 0.351 . . . . 0.0 111.538 171.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.69 0.82 56.7 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-O 119.487 -0.618 . . . . 0.0 113.648 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.14 166.79 20.71 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 117.415 0.608 . . . . 0.0 110.936 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -97.37 163.56 12.83 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 31.4 m -115.21 100.09 7.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.96 0.904 . . . . 0.0 109.582 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 20.9 t -106.36 125.91 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.584 0.753 . . . . 0.0 109.53 -177.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.66 109.73 22.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.02 0.528 . . . . 0.0 109.747 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 64.0 mt -76.29 -20.18 57.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.796 0.838 . . . . 0.0 112.657 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.636 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.2 t -93.27 15.88 14.49 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-O 121.134 0.492 . . . . 0.0 111.367 -171.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 165.233 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.1 ttm . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.52 149.12 49.28 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.33 0.586 . . . . 0.0 110.979 171.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.23 175.37 9.32 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.051 -171.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -100.83 108.08 19.78 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.358 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -93.51 110.07 21.66 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.1 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mt -101.19 118.64 48.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -175.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.646 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 45.1 p90 -137.89 -177.56 4.87 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -127.19 156.29 42.06 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 166.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.454 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 33.0 t70 -84.95 161.35 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -48.84 -34.5 12.62 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.784 1.234 . . . . 0.0 112.953 175.594 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.462 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -73.1 9.76 1.13 Allowed 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 124.287 1.035 . . . . 0.0 112.744 175.01 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.87 16.32 80.49 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 124.657 1.123 . . . . 0.0 113.041 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 41.8 mt-10 -89.48 96.4 10.69 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 116.707 0.254 . . . . 0.0 111.048 -167.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.416 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 84.3 m-85 -55.6 113.9 1.64 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.564 0.697 . . . . 0.0 111.809 175.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -136.2 135.99 39.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 113.246 -1.797 . . . . 0.0 107.619 -178.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -123.38 169.7 11.08 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.098 0.475 . . . . 0.0 109.746 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -140.72 172.17 13.07 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.815 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -126.32 140.5 52.46 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 167.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -98.68 -177.58 3.71 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.152 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.86 160.27 31.43 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.849 1.259 . . . . 0.0 107.776 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -50.69 -29.18 10.57 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.482 1.113 . . . . 0.0 113.904 177.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -89.21 7.34 35.86 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.406 0.682 . . . . 0.0 111.541 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.47 32.37 47.32 Favored Glycine 0 C--N 1.346 1.087 0 C-N-CA 123.054 0.359 . . . . 0.0 113.051 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -107.13 125.23 50.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.523 0.729 . . . . 0.0 109.939 -174.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -78.6 133.54 37.28 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 170.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.417 ' HB2' ' HE2' ' A' ' 26' ' ' MET . 1.3 ppp? -116.13 -18.9 10.49 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.855 -174.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.571 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 0.1 OUTLIER -163.51 168.76 19.73 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.575 0.35 . . . . 0.0 111.602 162.659 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.9 t -176.26 -176.42 0.78 Allowed 'General case' 0 N--CA 1.471 0.601 0 O-C-N 125.013 1.446 . . . . 0.0 111.739 -170.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 m 92.99 -7.03 0.16 Allowed 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.371 1.068 . . . . 0.0 112.947 156.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.598 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 10.5 tp10 -79.99 -88.59 0.07 Allowed 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 176.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 92.74 -16.54 59.99 Favored Glycine 0 N--CA 1.477 1.374 0 CA-C-O 119.947 -0.363 . . . . 0.0 112.405 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.598 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 69.2 t80 75.63 -65.22 0.33 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.548 1.939 . . . . 0.0 111.254 176.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -150.51 -58.22 0.18 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.486 0.715 . . . . 0.0 109.851 -177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.54 -176.41 5.23 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 59.7 pttt -70.0 -41.51 74.27 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.185 0.902 . . . . 0.0 111.587 -176.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.83 87.02 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.826 0.451 . . . . 0.0 110.586 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 m -66.85 -24.46 66.15 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.143 176.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 35' ' ' LYS . . . -68.72 -43.98 74.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.568 0.747 . . . . 0.0 110.336 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.6 mp -55.69 -48.39 77.9 Favored 'Isoleucine or valine' 0 C--N 1.368 1.373 0 CA-C-O 119.179 -0.438 . . . . 0.0 110.262 172.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -56.72 -41.25 77.13 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.11 0.564 . . . . 0.0 111.274 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.9 -55.98 27.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.919 171.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -58.33 -27.56 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.783 0.833 . . . . 0.0 112.167 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 48.4 mt-10 -67.19 -29.51 69.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.671 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -56.97 -40.56 76.75 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.536 0.523 . . . . 0.0 111.589 168.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.468 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 4.3 mm -68.45 -44.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.106 -174.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 9.5 mmmm -58.41 -23.24 56.7 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 114.707 -1.133 . . . . 0.0 113.769 -176.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -66.03 -55.67 15.47 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.2 0.937 . . . . 0.0 111.861 -175.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -175.75 18.85 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 123.525 0.516 . . . . 0.0 111.518 -168.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.468 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.7 t -64.24 -32.71 74.41 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -176.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.23 -25.72 67.97 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.74 0.416 . . . . 0.0 111.924 171.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.07 -0.49 51.42 Favored Glycine 0 C--N 1.35 1.356 0 N-CA-C 114.507 0.563 . . . . 0.0 114.507 173.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.87 170.55 5.28 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.544 0.738 . . . . 0.0 111.887 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -97.33 160.3 14.41 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 121.999 -0.438 . . . . 0.0 110.221 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.404 HG23 HD13 ' B' ' 42' ' ' ILE . 25.2 m -114.8 99.07 7.22 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.427 0.691 . . . . 0.0 109.322 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 t -100.03 132.04 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.574 1.149 . . . . 0.0 109.915 -176.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -110.11 110.41 21.29 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.513 0.725 . . . . 0.0 109.563 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 57' ' ' LEU . 2.5 mm? -89.23 -17.13 29.67 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.828 1.251 . . . . 0.0 112.893 -178.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.675 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 15.3 t -97.52 -1.92 42.99 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 118.328 -0.844 . . . . 0.0 111.971 -170.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.481 1.125 0 O-C-N 125.798 1.936 . . . . 0.0 113.557 -165.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.67 138.68 57.6 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.331 0.586 . . . . 0.0 110.831 167.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.54 174.89 12.03 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 124.949 1.3 . . . . 0.0 109.856 -171.115 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.545 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 90.5 m-85 -100.71 107.91 19.64 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.187 0.995 . . . . 0.0 109.458 -177.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -93.53 110.34 21.93 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -101.31 118.31 47.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.675 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 37.1 p90 -137.59 -177.74 4.93 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -127.42 156.05 42.68 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 166.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.465 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 23.0 t70 -84.64 161.99 19.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -49.68 -35.53 21.9 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.312 1.445 . . . . 0.0 112.063 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.38 9.48 0.79 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.071 0.948 . . . . 0.0 112.837 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.86 16.76 79.26 Favored Glycine 0 C--N 1.346 1.087 0 C-N-CA 124.986 1.279 . . . . 0.0 112.803 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.465 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 22.7 mm-40 -88.3 95.65 10.27 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.001 0.52 . . . . 0.0 111.038 -168.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.405 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 70.9 m-85 -55.26 114.04 1.63 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.464 0.65 . . . . 0.0 111.865 174.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -136.88 135.74 38.09 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 125.973 1.709 . . . . 0.0 107.869 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -123.53 169.77 11.08 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.158 0.504 . . . . 0.0 109.746 172.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -141.05 172.46 12.65 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.905 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -126.33 140.34 52.59 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 167.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -97.93 -177.61 3.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.836 -1.074 . . . . 0.0 111.316 -176.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -127.25 159.88 33.0 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.744 1.217 . . . . 0.0 107.769 173.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.2 p -50.76 -28.74 9.83 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.0 7.03 36.86 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.731 0.812 . . . . 0.0 111.265 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.12 33.96 43.27 Favored Glycine 0 C--N 1.347 1.173 0 C-N-CA 123.052 0.358 . . . . 0.0 112.744 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.403 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 41.1 mt-10 -109.12 124.8 51.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.599 0.76 . . . . 0.0 109.725 -174.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -78.09 134.29 37.74 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 171.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.459 ' HB2' ' HE2' ' B' ' 26' ' ' MET . 1.4 ppp? -116.88 -18.98 10.04 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.8 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.01 167.71 22.06 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.851 0.46 . . . . 0.0 111.898 162.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -174.76 -176.09 0.98 Allowed 'General case' 0 C--O 1.241 0.629 0 O-C-N 125.029 1.456 . . . . 0.0 111.563 -171.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t 93.14 -5.05 0.14 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.85 1.26 . . . . 0.0 113.465 156.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.571 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -81.58 -90.06 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.446 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 93.25 -16.22 61.1 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 112.302 -0.319 . . . . 0.0 112.302 -176.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 32.2 t80 74.72 -65.59 0.34 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.551 1.94 . . . . 0.0 111.401 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -149.97 -58.6 0.19 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.709 0.804 . . . . 0.0 109.995 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.12 -175.93 5.02 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.428 1.091 . . . . 0.0 108.206 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' B' ' 38' ' ' ALA . 0.0 OUTLIER -70.03 -41.83 73.75 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.136 0.88 . . . . 0.0 110.993 -176.166 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.56 88.87 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.788 0.435 . . . . 0.0 110.53 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 66.5 m -66.27 -24.29 66.54 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.608 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 35' ' ' LYS . . . -68.75 -43.69 75.33 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.341 0.656 . . . . 0.0 110.376 176.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 mp -56.54 -47.86 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 118.212 0.46 . . . . 0.0 110.199 172.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -56.67 -41.21 76.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 123.543 0.527 . . . . 0.0 111.46 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.7 -55.98 27.26 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.83 171.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 54' ' ' THR . 64.0 mt -58.65 -27.39 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.434 0.694 . . . . 0.0 112.06 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.4 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 45.4 mt-10 -66.92 -29.41 69.28 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.819 0.448 . . . . 0.0 110.67 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.8 m -57.97 -40.09 79.74 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.658 0.599 . . . . 0.0 111.515 169.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.545 HG21 ' HZ ' ' B' ' 4' ' ' PHE . 4.5 mm -68.55 -44.51 82.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -174.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.4 mmmm -59.58 -23.37 62.88 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 114.722 -1.126 . . . . 0.0 113.215 -175.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -64.36 -55.82 18.55 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.322 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -176.28 18.55 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 122.986 0.514 . . . . 0.0 111.648 -167.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.462 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.4 t -64.97 -32.66 74.49 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 121.527 -0.733 . . . . 0.0 112.421 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.7 -24.9 67.9 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 122.799 0.44 . . . . 0.0 111.743 171.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.08 -1.08 51.48 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 114.504 0.562 . . . . 0.0 114.504 173.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.95 170.63 5.27 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.659 0.784 . . . . 0.0 111.745 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.92 160.58 14.21 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 122.014 -0.429 . . . . 0.0 110.395 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 26.3 m -114.97 99.32 7.37 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.545 0.738 . . . . 0.0 109.433 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.1 t -100.3 131.92 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.774 1.23 . . . . 0.0 109.709 -176.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -109.74 109.93 20.78 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.733 0.813 . . . . 0.0 109.724 176.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.421 HD22 ' N ' ' B' ' 57' ' ' LEU . 2.6 mm? -89.02 -18.31 27.61 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.962 1.305 . . . . 0.0 112.883 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.646 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 7.8 t -80.54 16.94 1.2 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.954 0.407 . . . . 0.0 111.973 -172.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 167.163 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.558 0.218 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -67.4 165.77 15.88 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.545 0.738 . . . . 0.0 112.714 173.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.19 179.34 7.99 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.916 -167.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -100.51 124.9 46.67 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 124.189 0.996 . . . . 0.0 109.086 177.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -101.23 104.53 15.58 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.748 0.419 . . . . 0.0 110.381 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.5 mt -95.32 126.65 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.544 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 13.4 p90 -154.25 -174.02 4.8 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -127.31 164.39 21.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 165.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -113.33 176.19 5.13 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -39.14 -39.37 0.58 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 127.305 2.242 . . . . 0.0 114.245 -173.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.4 8.56 3.33 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.56 25.14 71.4 Favored Glycine 0 C--N 1.357 1.737 0 C-N-CA 124.1 0.857 . . . . 0.0 112.124 -174.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -98.6 123.88 43.05 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -172.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -83.0 128.03 34.1 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -173.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.19 137.46 30.83 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 114.421 -1.263 . . . . 0.0 108.88 176.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -106.96 161.12 15.01 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.233 0.54 . . . . 0.0 110.007 169.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.508 ' HG3' ' HE1' ' A' ' 7' ' ' TYR . 59.0 mtp180 -113.71 164.9 13.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.136 1.374 . . . . 0.0 107.913 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.552 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 17.2 t80 -124.97 127.19 46.65 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 156.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -98.46 -179.4 4.32 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.155 -171.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.93 158.36 39.74 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.579 1.152 . . . . 0.0 108.636 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.8 p -46.03 -39.24 8.88 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -88.79 1.13 55.76 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.235 0.614 . . . . 0.0 111.57 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.18 23.38 32.27 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 123.235 0.445 . . . . 0.0 113.988 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -83.24 154.63 24.09 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 173.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.9 m -110.78 138.69 46.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 168.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.552 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.7 ppp? -115.62 -31.91 5.7 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.374 0.67 . . . . 0.0 111.003 -175.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.482 ' N ' ' SD ' ' A' ' 26' ' ' MET . 1.3 p90 -143.69 159.77 41.89 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.526 0.679 . . . . 0.0 109.491 165.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.3 p -170.53 -177.86 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.464 -1.698 . . . . 0.0 109.782 176.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t 68.3 39.05 2.37 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.223 0.609 . . . . 0.0 112.027 156.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -72.57 -33.07 66.51 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.729 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.67 52.47 42.49 Favored Glycine 0 C--N 1.359 1.827 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -71.08 -65.94 0.68 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.403 0.281 . . . . 0.0 110.391 -162.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -167.73 -71.05 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.035 0.445 . . . . 0.0 110.381 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -140.17 179.78 6.43 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.78 0.832 . . . . 0.0 109.727 -172.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.493 ' NZ ' HG23 ' B' ' 58' ' ' THR . 17.7 ttmm -65.59 -50.4 65.24 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.459 0.572 . . . . 0.0 111.004 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.31 81.32 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.898 0.479 . . . . 0.0 111.018 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 15.4 m -66.22 -35.62 80.92 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.794 176.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.32 77.43 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 123.709 0.804 . . . . 0.0 110.788 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -56.06 -48.2 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.271 0.628 . . . . 0.0 111.58 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -59.04 -38.54 79.57 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 123.528 0.518 . . . . 0.0 111.183 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.416 ' HB1' ' HE2' ' B' ' 26' ' ' MET . . . -59.17 -57.45 12.99 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.008 172.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.17 -26.59 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.032 0.533 . . . . 0.0 111.707 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 36.6 mt-10 -64.86 -34.28 78.01 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-O 119.047 -0.501 . . . . 0.0 110.14 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 33.5 m -53.33 -40.3 64.75 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 124.103 0.877 . . . . 0.0 111.749 171.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.549 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.5 mm -67.45 -44.34 86.9 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -175.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.557 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 8.4 mmmm -61.66 -29.44 70.07 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.206 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.9 mmt180 -62.49 -52.8 62.05 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 124.256 0.972 . . . . 0.0 112.226 -174.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -171.99 15.74 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -168.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.549 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 17.4 t -67.58 -36.12 80.31 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.513 -0.742 . . . . 0.0 112.992 -172.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.555 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.05 -27.88 69.21 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 122.507 0.323 . . . . 0.0 111.598 173.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.69 -3.34 56.19 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-O 119.457 -0.635 . . . . 0.0 113.953 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.44 164.83 15.51 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.771 0.829 . . . . 0.0 111.376 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -90.53 157.13 17.69 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.484 0.313 . . . . 0.0 110.359 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 m -115.08 99.77 7.68 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.673 0.789 . . . . 0.0 109.67 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 81.3 t -104.13 130.6 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.026 1.33 . . . . 0.0 110.426 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -109.65 123.19 49.04 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.283 0.563 . . . . 0.0 111.068 174.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 57' ' ' LEU . 2.3 mm? -94.67 -21.83 18.54 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.827 1.251 . . . . 0.0 113.008 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.621 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 13.1 t -88.99 -15.55 33.9 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 119.239 0.927 . . . . 0.0 112.805 -167.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 118.241 -0.885 . . . . 0.0 109.533 -173.824 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.0 ttm . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -151.24 170.92 18.31 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.455 0.702 . . . . 0.0 111.284 174.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -165.31 179.44 6.23 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.672 -167.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.445 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 96.2 m-85 -100.21 124.6 45.84 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.453 1.101 . . . . 0.0 109.063 177.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -101.14 104.49 15.58 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.097 0.559 . . . . 0.0 110.203 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 14.4 mt -95.92 126.64 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.621 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 47.4 p90 -153.96 -174.37 4.93 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.125 0.488 . . . . 0.0 109.771 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -126.79 164.16 21.98 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 164.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.75 177.93 4.49 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -41.13 -38.95 1.15 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 127.03 2.132 . . . . 0.0 113.827 -174.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.58 7.66 4.32 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.436 0.694 . . . . 0.0 112.793 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.64 25.32 72.83 Favored Glycine 0 C--N 1.355 1.604 0 C-N-CA 124.022 0.82 . . . . 0.0 112.471 -174.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -100.72 112.77 25.24 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -66.64 125.36 25.56 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.601 ' HB3' ' HA ' ' B' ' 29' ' ' SER . 0.7 OUTLIER -140.46 137.28 33.78 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.715 176.393 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -107.27 161.36 14.86 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 120.998 0.427 . . . . 0.0 110.157 167.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.6 ' HG3' ' HE1' ' B' ' 7' ' ' TYR . 60.7 mtt180 -113.5 165.39 12.53 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.933 1.293 . . . . 0.0 108.463 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.547 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.8 t80 -125.25 127.28 46.48 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 157.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -98.45 -179.16 4.25 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.336 -171.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.15 158.46 39.62 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.601 -1.182 . . . . 0.0 108.43 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.1 m -46.47 -38.72 9.58 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 124.94 1.296 . . . . 0.0 114.479 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.416 HD21 ' HG2' ' B' ' 24' ' ' GLU . 1.4 p-10 -90.28 1.78 56.15 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 122.704 0.401 . . . . 0.0 111.791 -176.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.39 22.03 33.12 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 114.189 0.436 . . . . 0.0 114.189 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.416 ' HG2' HD21 ' B' ' 22' ' ' ASN . 50.8 mm-40 -83.0 154.51 24.43 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.71 0.404 . . . . 0.0 110.115 172.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 34.1 m -110.35 138.03 47.28 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 168.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.547 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.8 ppp? -114.88 -31.85 5.97 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.159 0.584 . . . . 0.0 111.079 -175.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.466 ' N ' ' SD ' ' B' ' 26' ' ' MET . 1.3 p90 -143.75 159.67 42.09 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.416 0.627 . . . . 0.0 109.523 165.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.425 ' HB3' ' HG2' ' B' ' 17' ' ' ARG . 71.5 p -170.3 -177.7 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 113.504 -1.68 . . . . 0.0 109.745 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.601 ' HA ' ' HB3' ' B' ' 15' ' ' ARG . 17.4 m 67.8 38.72 2.83 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.177 155.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.22 -32.72 67.0 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.653 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.61 51.94 47.4 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -70.86 -65.82 0.69 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 122.346 0.259 . . . . 0.0 110.371 -162.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -167.73 -71.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.593 0.357 . . . . 0.0 110.603 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.413 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -139.62 179.75 6.38 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.617 0.767 . . . . 0.0 109.597 -172.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -64.15 -51.42 63.96 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.317 0.647 . . . . 0.0 111.234 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.67 81.34 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.28 0.632 . . . . 0.0 110.964 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.413 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 13.6 m -66.95 -35.71 80.58 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.533 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.47 80.41 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.526 0.731 . . . . 0.0 110.692 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.51 -47.82 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.369 0.668 . . . . 0.0 111.33 174.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -58.34 -39.14 78.67 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 123.598 0.561 . . . . 0.0 111.288 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -58.88 -57.89 11.04 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.956 172.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.425 HG22 ' HD3' ' B' ' 46' ' ' LYS . 63.8 mt -56.39 -27.44 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.358 0.663 . . . . 0.0 111.653 178.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 41.8 mt-10 -64.21 -34.74 78.79 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 118.866 -0.587 . . . . 0.0 109.869 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 16.5 m -53.2 -40.16 64.23 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 124.06 0.85 . . . . 0.0 111.773 171.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.7 mm -67.45 -44.24 86.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -175.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.6 mmmm -62.81 -28.64 70.14 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.812 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 32.7 mmt180 -62.27 -53.38 55.98 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.924 0.765 . . . . 0.0 111.714 -174.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -171.51 15.53 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -168.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.568 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 12.7 t -67.24 -35.77 80.24 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.328 -0.857 . . . . 0.0 113.016 -172.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.24 -27.63 69.13 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 122.582 0.353 . . . . 0.0 111.785 173.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.96 -3.76 55.76 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-O 119.606 -0.552 . . . . 0.0 113.871 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.41 165.05 15.0 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.714 0.806 . . . . 0.0 111.402 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.43 157.87 16.82 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 39.2 m -115.5 100.17 7.88 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.643 0.777 . . . . 0.0 109.417 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 87.2 t -104.18 130.72 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.801 1.241 . . . . 0.0 110.414 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -109.19 122.03 46.43 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.542 0.737 . . . . 0.0 110.755 174.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.414 HD22 ' N ' ' B' ' 57' ' ' LEU . 2.5 mm? -94.34 -21.71 18.81 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.892 1.277 . . . . 0.0 112.852 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.544 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 10.3 t -85.92 -4.43 59.16 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 118.412 0.551 . . . . 0.0 111.525 -170.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 47.0 p . . . . . 0 N--CA 1.495 1.815 0 C-N-CA 127.084 2.154 . . . . 0.0 115.083 -177.686 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.52 167.95 9.95 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.311 0.577 . . . . 0.0 111.681 171.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.403 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.7 OUTLIER -162.88 178.38 8.45 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.216 -170.782 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.429 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 91.2 m-85 -99.09 121.73 41.37 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 114.821 -1.082 . . . . 0.0 108.84 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -95.93 110.84 22.98 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mt -100.99 121.99 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.661 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 35.2 p90 -143.07 -178.42 5.83 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.122 0.486 . . . . 0.0 109.766 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.508 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 5.9 pt20 -121.84 150.0 42.55 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.21 -1.034 . . . . 0.0 108.21 166.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -84.06 161.02 20.83 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 177.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -52.93 -35.42 58.47 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.608 1.163 . . . . 0.0 111.829 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.17 6.37 0.56 Allowed 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 123.71 0.804 . . . . 0.0 113.011 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.42 17.5 77.76 Favored Glycine 0 C--N 1.349 1.277 0 C-N-CA 125.061 1.315 . . . . 0.0 113.195 -176.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 41.0 mt-10 -96.49 98.7 10.44 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -170.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 96.0 m-85 -51.19 114.47 1.21 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.701 0.8 . . . . 0.0 112.695 176.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 17.6 mmt180 -128.53 134.5 48.68 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 113.308 -1.769 . . . . 0.0 108.379 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -118.93 164.75 14.99 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.125 0.488 . . . . 0.0 109.917 170.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -142.21 170.73 15.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.398 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.518 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.6 t80 -124.79 135.02 52.59 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 173.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -101.47 -178.92 3.87 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.444 -173.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.78 154.95 47.46 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.012 -1.449 . . . . 0.0 107.85 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.6 p -47.75 -25.29 1.19 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -176.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -99.95 11.79 38.41 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.189 0.596 . . . . 0.0 111.658 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.44 16.79 72.83 Favored Glycine 0 N--CA 1.471 1.023 0 N-CA-C 114.616 0.606 . . . . 0.0 114.616 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -85.03 152.18 23.62 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.896 0.478 . . . . 0.0 110.228 175.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.5 m -108.39 147.1 32.05 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.439 0.696 . . . . 0.0 109.384 172.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.518 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 2.0 ppp? -122.02 -32.23 3.75 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.814 0.846 . . . . 0.0 112.058 -176.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.441 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 2.1 p90 -142.29 155.44 45.21 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 167.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.416 ' H ' ' HB3' ' B' ' 30' ' ' GLU . 49.2 m -154.24 176.88 11.75 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.67 1.188 . . . . 0.0 110.241 176.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.472 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 49.7 m 62.36 49.29 4.26 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 150.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HB3' ' H ' ' B' ' 28' ' ' SER . 0.0 OUTLIER -68.26 -42.75 79.19 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.195 170.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.37 53.9 36.04 Favored Glycine 0 C--N 1.354 1.574 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -75.07 -59.33 2.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.426 0.29 . . . . 0.0 110.225 -166.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -167.01 -65.04 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 120.838 0.351 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.04 179.15 8.73 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.574 0.75 . . . . 0.0 109.457 -171.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -43.45 75.39 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.729 0.412 . . . . 0.0 110.659 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.8 -42.31 79.28 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.336 0.589 . . . . 0.0 110.311 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 m -69.84 -29.22 66.43 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.788 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.86 63.5 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 123.633 0.773 . . . . 0.0 110.47 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -55.48 -50.7 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.255 0.622 . . . . 0.0 110.668 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -57.78 -39.85 78.43 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 123.633 0.583 . . . . 0.0 111.746 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -58.46 -57.34 13.39 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.736 172.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.91 -26.46 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.684 0.794 . . . . 0.0 111.959 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.56 -31.67 72.52 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 119.309 -0.377 . . . . 0.0 110.491 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 19.9 m -53.66 -39.56 65.17 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 123.52 0.512 . . . . 0.0 111.612 168.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.553 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.6 mm -71.02 -45.66 71.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.135 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.8 mmmm -59.06 -30.69 68.24 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.386 1.074 . . . . 0.0 112.254 -178.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -58.44 -69.42 0.19 Allowed 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.885 -1.507 . . . . 0.0 112.654 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -157.79 16.47 0.24 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -171.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.553 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 13.7 t -66.22 -32.62 74.15 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -172.031 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -60.66 -31.3 70.53 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.791 0.436 . . . . 0.0 111.944 171.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.28 -0.56 55.8 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-O 119.573 -0.57 . . . . 0.0 113.853 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.16 165.54 9.11 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.789 0.836 . . . . 0.0 111.453 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.569 ' HB2' ' HB3' ' B' ' 3' ' ' LYS . 6.2 m-20 -89.18 160.38 17.0 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.5 m -121.23 99.26 6.39 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 121.427 0.632 . . . . 0.0 109.837 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.6 t -100.43 127.07 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.061 1.344 . . . . 0.0 110.071 -175.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.401 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.6 t70 -108.09 122.5 47.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.563 0.745 . . . . 0.0 110.413 177.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -100.88 -14.09 18.09 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 124.823 1.249 . . . . 0.0 112.832 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.679 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.7 t -91.23 -10.06 42.97 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -170.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.488 1.44 0 CA-C-N 119.017 0.826 . . . . 0.0 111.861 -179.32 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.0 168.44 27.12 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.246 1.018 . . . . 0.0 109.465 175.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' LYS . . . . . 0.569 ' HB3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -164.37 178.52 7.42 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.979 -168.304 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.444 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 95.5 m-85 -98.68 120.8 39.73 Favored 'General case' 0 C--O 1.228 -0.06 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.829 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -95.09 110.6 22.51 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.401 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 24.3 mt -100.49 122.4 52.41 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.679 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 39.6 p90 -142.76 -178.42 5.79 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.144 0.497 . . . . 0.0 109.819 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' B' ' 14' ' ' TYR . 5.8 pt20 -121.83 150.24 42.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 165.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.617 ' HB2' ' HD2' ' B' ' 15' ' ' ARG . 29.6 t70 -84.2 161.28 20.6 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 124.232 1.013 . . . . 0.0 108.567 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -34.32 58.8 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.471 1.108 . . . . 0.0 112.157 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.59 6.42 0.64 Allowed 'General case' 0 CA--C 1.566 1.581 0 C-N-CA 124.168 0.987 . . . . 0.0 113.132 172.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.23 17.49 77.46 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 124.82 1.2 . . . . 0.0 113.13 -176.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -96.7 99.0 10.62 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -170.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.519 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 93.2 m-85 -51.91 114.55 1.33 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.901 0.858 . . . . 0.0 112.753 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.617 ' HD2' ' HB2' ' B' ' 9' ' ' ASP . 93.7 mtt180 -129.69 134.34 47.59 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 113.314 -1.766 . . . . 0.0 109.283 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -118.59 164.17 15.72 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.483 0.658 . . . . 0.0 109.806 171.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -141.89 171.05 14.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.595 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.541 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.3 t80 -124.84 134.89 52.57 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 173.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -101.08 -179.2 3.97 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.372 -173.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.1 155.17 47.41 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.332 1.453 . . . . 0.0 107.77 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -48.24 -25.42 1.52 Allowed 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 -176.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -100.02 13.09 35.17 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.47 0.708 . . . . 0.0 112.447 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.44 16.72 75.31 Favored Glycine 0 N--CA 1.473 1.113 0 N-CA-C 114.324 0.49 . . . . 0.0 114.324 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -84.42 152.43 24.03 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.037 0.535 . . . . 0.0 110.479 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 53.2 m -108.8 147.47 32.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.502 0.721 . . . . 0.0 109.292 172.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.541 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.9 ppp? -122.45 -32.54 3.6 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.707 0.803 . . . . 0.0 111.721 -176.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.429 ' N ' ' SD ' ' B' ' 26' ' ' MET . 2.0 p90 -141.7 155.98 45.64 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 167.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.425 ' H ' ' HB3' ' A' ' 30' ' ' GLU . 66.9 p -155.32 176.76 12.16 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 124.685 1.241 . . . . 0.0 110.462 176.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.7 t 62.94 48.86 3.75 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 150.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -67.68 -42.53 81.95 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.23 170.613 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.85 53.42 37.83 Favored Glycine 0 C--N 1.354 1.537 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -176.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -74.94 -59.13 2.87 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.624 0.37 . . . . 0.0 110.308 -166.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -167.34 -65.03 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.784 0.434 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.64 178.58 9.45 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.625 0.77 . . . . 0.0 109.647 -171.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -70.09 -41.13 74.46 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 118.189 0.449 . . . . 0.0 111.073 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.44 81.67 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.108 0.48 . . . . 0.0 110.433 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 m -69.43 -29.34 67.03 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.877 177.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.11 -48.94 64.07 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 123.739 0.816 . . . . 0.0 110.485 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -55.65 -50.65 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.056 0.542 . . . . 0.0 110.938 173.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -58.05 -39.81 79.37 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 123.708 0.63 . . . . 0.0 111.241 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.31 -57.45 12.85 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.794 172.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.438 HG22 ' HD3' ' B' ' 46' ' ' LYS . 84.2 mt -56.75 -26.6 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.774 0.829 . . . . 0.0 111.837 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 39.5 mt-10 -66.22 -32.05 73.25 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-O 118.975 -0.536 . . . . 0.0 110.675 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 42.1 m -53.68 -39.37 65.07 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 123.943 0.777 . . . . 0.0 111.472 169.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.553 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.4 mm -70.95 -45.46 72.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.273 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.541 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.7 mmmm -59.99 -30.31 69.04 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.326 1.05 . . . . 0.0 111.69 -177.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 25.5 mmm180 -58.27 -70.29 0.15 Allowed 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 114.062 -1.427 . . . . 0.0 112.196 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -156.43 15.71 0.32 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 122.882 0.473 . . . . 0.0 111.931 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.553 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 12.4 t -66.5 -32.29 73.56 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -171.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -60.46 -31.54 70.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.885 0.474 . . . . 0.0 111.863 171.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.9 0.43 55.12 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-O 119.497 -0.613 . . . . 0.0 114.007 175.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.24 165.17 9.82 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.826 0.85 . . . . 0.0 111.336 176.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 13.2 t70 -89.58 161.02 16.38 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -121.07 99.08 6.29 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 121.242 0.544 . . . . 0.0 109.824 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 79.7 t -99.75 127.38 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.118 1.367 . . . . 0.0 110.183 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -108.15 122.2 46.41 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.465 0.706 . . . . 0.0 110.323 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -100.82 -16.45 17.28 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.698 1.199 . . . . 0.0 112.642 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.661 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.9 t -84.83 -14.8 46.9 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 118.624 0.647 . . . . 0.0 112.509 -170.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.47 HG23 HG23 ' B' ' 58' ' ' THR . 31.1 p . . . . . 0 N--CA 1.479 1.0 0 C-N-CA 122.832 0.453 . . . . 0.0 110.188 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttm . . . . . 0 N--CA 1.483 1.189 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.88 162.82 29.39 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.427 1.091 . . . . 0.0 109.517 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -162.77 175.28 11.45 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.789 -176.646 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -99.55 117.27 33.58 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.156 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -96.09 108.68 21.14 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.403 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 26.4 mt -99.72 122.82 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -176.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.605 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 50.1 p90 -138.45 -178.49 5.32 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 122.825 0.45 . . . . 0.0 109.959 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -127.05 152.74 46.87 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 167.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.568 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 27.3 t70 -100.23 179.81 4.36 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-O 118.591 -0.719 . . . . 0.0 109.632 -178.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -48.66 -36.8 16.8 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 125.639 1.576 . . . . 0.0 112.991 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.614 ' HB3' ' HG3' ' A' ' 13' ' ' GLU . . . -87.3 16.71 4.99 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.437 0.695 . . . . 0.0 111.224 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.26 21.71 77.31 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.442 -173.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.614 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 48.4 mt-10 -78.71 90.34 4.61 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.806 0.303 . . . . 0.0 110.643 -167.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -50.55 104.21 0.07 Allowed 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 122.639 1.209 . . . . 0.0 112.011 170.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -132.72 134.14 44.4 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 111.719 -2.491 . . . . 0.0 108.3 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -113.93 169.05 9.28 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.671 0.748 . . . . 0.0 109.95 171.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -142.04 169.54 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.175 -1.375 . . . . 0.0 110.109 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.435 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 23.1 t80 -126.84 140.89 52.02 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -95.68 -179.04 4.59 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.226 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.74 159.7 36.5 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.066 0.946 . . . . 0.0 108.682 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.3 m -55.37 -25.0 32.74 Favored 'General case' 0 CA--C 1.559 1.309 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -80.88 -12.82 59.35 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 123.325 0.65 . . . . 0.0 111.48 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.93 64.67 1.65 Allowed Glycine 0 C--N 1.341 0.853 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 -174.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -148.57 153.67 38.69 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.899 0.88 . . . . 0.0 109.066 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.9 m -89.85 136.12 33.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.413 0.625 . . . . 0.0 109.708 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.435 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.8 ppp? -115.92 -25.68 7.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 114.594 -1.184 . . . . 0.0 112.172 -174.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.414 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 2.0 p90 -147.8 160.79 42.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 167.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.441 ' H ' ' HB3' ' B' ' 30' ' ' GLU . 67.8 p -166.26 -178.74 4.7 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.954 1.409 . . . . 0.0 110.123 177.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.2 m 62.85 35.03 13.9 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.004 0.922 . . . . 0.0 113.06 154.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.46 ' HB3' ' H ' ' B' ' 28' ' ' SER . 0.0 OUTLIER -58.38 -42.04 86.15 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.954 165.838 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.2 53.1 42.32 Favored Glycine 0 C--N 1.359 1.815 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -72.84 -57.16 4.28 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.575 0.221 . . . . 0.0 111.33 -162.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -168.38 -75.56 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.646 0.379 . . . . 0.0 110.987 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.5 -177.91 6.24 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.9 0.88 . . . . 0.0 108.823 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' NZ ' HG23 ' B' ' 58' ' ' THR . 17.7 ttmm -62.97 -46.27 88.5 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.162 0.892 . . . . 0.0 111.479 -175.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.4 -44.92 72.76 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.543 0.737 . . . . 0.0 110.972 177.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.2 m -72.52 -25.85 61.54 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.388 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.25 -54.5 17.19 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 123.292 0.637 . . . . 0.0 109.834 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.82 -48.39 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.682 0.793 . . . . 0.0 110.758 172.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -59.23 -42.0 90.02 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.344 0.658 . . . . 0.0 111.816 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -59.67 -53.14 61.43 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.412 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 90.6 mt -56.59 -28.46 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 C-N-CA 123.449 0.7 . . . . 0.0 111.675 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 10.4 mm-40 -64.79 -32.34 73.98 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 118.928 -0.558 . . . . 0.0 110.763 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 7.6 m -53.73 -40.46 66.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 123.698 0.624 . . . . 0.0 111.276 169.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.471 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 2.9 mm -70.95 -46.5 67.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -175.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.501 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.5 mmmm -60.45 -21.66 62.57 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.302 1.041 . . . . 0.0 113.327 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 39.4 mmt-85 -60.84 -71.78 0.13 Allowed 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.195 0.934 . . . . 0.0 111.408 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -162.67 22.59 0.1 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.316 0.646 . . . . 0.0 109.635 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.471 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 27.1 t -61.87 -27.94 69.15 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -173.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -61.57 -32.17 72.25 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 122.514 0.326 . . . . 0.0 111.479 170.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 2.63 58.25 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.626 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.45 178.37 0.56 Allowed 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.774 0.787 . . . . 0.0 111.876 174.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -107.17 157.33 17.95 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.929 0.492 . . . . 0.0 109.724 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 m -119.66 110.63 17.07 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.391 0.676 . . . . 0.0 109.903 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -110.09 130.84 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.002 1.321 . . . . 0.0 110.1 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 11.7 t70 -107.82 112.74 25.53 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 122.805 0.442 . . . . 0.0 110.449 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.29 -22.19 28.68 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.025 1.33 . . . . 0.0 112.47 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.644 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 11.6 t -92.54 8.84 37.08 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.015 0.436 . . . . 0.0 112.171 -171.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.475 0.776 0 C-N-CA 122.968 0.507 . . . . 0.0 110.056 169.947 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.45 ' O ' ' HA ' ' B' ' 21' ' ' SER . 42.1 ttm . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.33 171.32 7.93 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.422 1.089 . . . . 0.0 110.112 -179.372 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.68 176.1 7.44 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.339 0.656 . . . . 0.0 111.232 -178.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -99.59 117.39 33.86 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.3 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -95.93 107.9 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.423 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 29.9 mt -99.49 123.04 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -176.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.644 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 44.6 p90 -138.79 -179.2 5.68 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 122.859 0.464 . . . . 0.0 109.978 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -126.7 152.19 47.12 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 167.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -100.36 -179.36 4.09 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.724 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -36.52 14.14 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 125.443 1.497 . . . . 0.0 113.462 -175.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.655 ' HB3' ' HG3' ' B' ' 13' ' ' GLU . . . -89.15 17.45 5.92 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.849 -177.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.66 22.46 76.73 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.654 -173.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.655 ' HG3' ' HB3' ' B' ' 11' ' ' ALA . 42.2 mt-10 -78.78 93.12 4.91 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.422 0.289 . . . . 0.0 110.663 -167.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -54.63 105.09 0.13 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 122.489 1.138 . . . . 0.0 112.024 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -132.85 134.13 44.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 112.142 -2.299 . . . . 0.0 108.226 -176.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -113.96 168.82 9.48 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-O 121.657 0.742 . . . . 0.0 110.048 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -141.37 169.77 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.098 -1.41 . . . . 0.0 110.093 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.458 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 24.0 t80 -126.9 140.76 52.1 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 173.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -95.53 -179.42 4.75 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.284 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.78 159.78 36.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.899 0.88 . . . . 0.0 108.678 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' B' ' 1' ' ' MET . 19.1 m -55.47 -24.66 32.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -81.91 -11.52 58.86 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.037 0.535 . . . . 0.0 111.747 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.51 65.31 1.68 Allowed Glycine 0 C--N 1.342 0.869 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.943 -174.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -146.46 155.58 42.65 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 172.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.9 m -90.75 136.77 32.85 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.367 0.603 . . . . 0.0 109.757 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.458 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.8 ppp? -116.24 -26.24 7.27 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.061 -174.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.404 ' HD2' ' SD ' ' B' ' 26' ' ' MET . 1.8 p90 -147.18 160.9 41.9 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 167.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' A' ' 30' ' ' GLU . 88.5 p -165.85 -177.96 4.53 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.918 1.386 . . . . 0.0 110.127 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 91.5 p 62.21 35.06 15.69 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.176 0.991 . . . . 0.0 113.125 153.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.441 ' HB3' ' H ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -58.9 -41.65 87.74 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.935 166.147 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.33 53.38 39.83 Favored Glycine 0 C--N 1.359 1.861 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -73.21 -56.66 4.79 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 122.147 0.179 . . . . 0.0 111.33 -162.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -168.85 -75.31 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.653 0.381 . . . . 0.0 110.918 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.07 -177.76 6.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.047 0.939 . . . . 0.0 108.968 -175.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -45.11 93.5 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.209 0.913 . . . . 0.0 111.416 -175.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.55 81.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.208 0.603 . . . . 0.0 110.638 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 51.0 m -71.62 -26.2 62.47 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.439 0.695 . . . . 0.0 111.518 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.25 -54.75 15.47 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.144 0.578 . . . . 0.0 109.773 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.47 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.2 mp -53.07 -48.67 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.766 0.826 . . . . 0.0 110.745 172.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -60.2 -41.08 92.24 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.416 0.686 . . . . 0.0 112.127 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.411 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -59.83 -53.42 58.19 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.406 HG22 ' HD3' ' B' ' 46' ' ' LYS . 89.6 mt -56.04 -28.39 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 123.416 0.686 . . . . 0.0 111.743 176.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 50.1 mt-10 -65.62 -31.79 73.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 119.456 -0.307 . . . . 0.0 110.502 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 32.0 m -54.06 -40.1 66.84 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 120.947 0.403 . . . . 0.0 111.06 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.471 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 2.6 mm -71.1 -46.46 66.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.736 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.0 mmmm -61.56 -20.89 63.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.081 0.952 . . . . 0.0 112.885 -176.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 15.8 mmm180 -60.38 -72.17 0.12 Allowed 'General case' 0 CA--C 1.549 0.941 0 O-C-N 124.142 0.901 . . . . 0.0 111.393 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -162.85 22.94 0.09 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.628 0.771 . . . . 0.0 109.413 -174.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.471 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.1 t -61.5 -28.16 69.11 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -174.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -61.18 -32.52 72.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.668 0.387 . . . . 0.0 111.431 170.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.87 2.65 58.44 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 113.723 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.34 178.01 0.59 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.629 0.771 . . . . 0.0 111.988 174.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.458 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 37.2 t70 -106.77 157.14 17.96 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.751 0.42 . . . . 0.0 110.013 177.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -119.09 110.59 17.25 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.236 0.614 . . . . 0.0 109.89 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -110.09 131.04 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 124.809 1.244 . . . . 0.0 110.29 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 18.6 t70 -107.4 112.18 24.86 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.223 0.609 . . . . 0.0 110.517 176.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 48.2 mt -85.19 -24.4 27.91 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.744 1.218 . . . . 0.0 113.134 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.605 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 7.3 t -83.5 7.87 15.73 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 118.393 0.542 . . . . 0.0 112.212 -169.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.559 1.291 0 C-N-CA 123.243 0.617 . . . . 0.0 111.314 174.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -67.4 151.57 47.19 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 123.117 0.567 . . . . 0.0 110.655 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.92 176.43 10.18 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.35 -161.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.433 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 74.4 m-85 -103.1 113.68 27.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.678 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -95.45 109.29 21.5 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -98.86 117.55 44.1 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.545 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.6 p90 -135.93 179.35 6.4 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.56 0.695 . . . . 0.0 109.489 178.082 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -123.44 147.17 47.41 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 165.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.61 161.72 23.38 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 124.505 1.122 . . . . 0.0 108.175 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -34.8 39.12 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 124.496 1.122 . . . . 0.0 111.733 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.46 5.74 0.54 Allowed 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.515 1.126 . . . . 0.0 113.34 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.54 28.56 73.12 Favored Glycine 0 C--N 1.351 1.373 0 C-N-CA 124.312 0.958 . . . . 0.0 112.592 -176.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -110.03 109.27 19.78 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.025 0.53 . . . . 0.0 110.793 -171.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.445 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 89.9 m-85 -59.17 119.52 7.49 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.81 136.41 38.8 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.023 1.329 . . . . 0.0 107.779 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -122.1 173.41 7.58 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-O 121.022 0.439 . . . . 0.0 109.834 168.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -144.34 169.61 17.59 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.24 -1.345 . . . . 0.0 110.499 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.436 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 18.0 t80 -122.14 134.36 54.74 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 168.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -100.24 -179.27 4.08 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.868 -172.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.633 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -126.64 177.95 6.21 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 171.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 p -71.99 -26.98 62.46 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 118.451 0.568 . . . . 0.0 111.008 -160.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -102.54 7.59 40.08 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.614 0.366 . . . . 0.0 111.643 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.27 17.97 20.72 Favored Glycine 0 C--N 1.349 1.299 0 N-CA-C 114.894 0.718 . . . . 0.0 114.894 175.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.633 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 15.5 mp0 -78.64 156.0 29.27 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 m -121.42 135.33 55.07 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 171.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -113.25 -18.23 12.14 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.472 -0.785 . . . . 0.0 112.0 -175.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.625 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 0.1 OUTLIER -164.46 167.37 19.59 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 162.374 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 p -174.3 -175.81 1.03 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.979 1.424 . . . . 0.0 111.679 -168.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.7 m 89.43 5.53 0.14 Allowed 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 156.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.752 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 8.2 tp10 -97.0 -84.36 0.37 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.445 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 92.13 -12.36 69.79 Favored Glycine 0 C--N 1.354 1.544 0 CA-C-O 120.055 -0.303 . . . . 0.0 112.704 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.752 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 15.2 t80 75.65 -65.98 0.3 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.394 1.877 . . . . 0.0 111.32 175.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -154.21 -61.35 0.13 Allowed 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.255 0.55 . . . . 0.0 109.89 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.45 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -139.43 -174.78 3.97 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.934 1.294 . . . . 0.0 108.753 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -68.09 -50.09 57.14 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 118.71 0.686 . . . . 0.0 110.142 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.04 -46.7 71.98 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.075 0.55 . . . . 0.0 110.797 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.45 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 4.9 m -65.89 -28.8 69.22 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.379 177.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.41 -46.78 72.22 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.398 0.679 . . . . 0.0 110.693 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.4 mp -55.54 -48.56 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-O 119.354 -0.355 . . . . 0.0 110.839 172.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -57.67 -39.48 77.19 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.165 0.586 . . . . 0.0 111.132 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.43 -53.72 55.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.939 172.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.459 ' O ' ' HD2' ' A' ' 46' ' ' LYS . 58.4 mt -59.43 -26.95 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.234 0.614 . . . . 0.0 111.99 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 44.8 mt-10 -67.0 -31.79 72.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 119.415 -0.326 . . . . 0.0 110.128 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.1 m -55.78 -37.59 68.76 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 123.669 0.606 . . . . 0.0 111.52 171.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.51 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.7 mm -69.67 -43.36 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.557 -175.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -59.1 -24.97 63.41 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.211 1.004 . . . . 0.0 112.95 179.028 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -64.99 -52.88 53.74 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.168 0.587 . . . . 0.0 111.998 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -176.89 16.65 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 123.632 0.582 . . . . 0.0 111.896 -170.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.9 t -65.8 -31.82 73.0 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.279 -0.888 . . . . 0.0 112.48 -173.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.21 71.31 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.175 0.297 . . . . 0.0 111.687 170.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.26 3.43 64.03 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-O 119.427 -0.652 . . . . 0.0 114.127 176.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.69 164.73 13.88 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.374 0.669 . . . . 0.0 111.608 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -89.37 156.52 18.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.0 m -110.31 98.13 7.43 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 174.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.1 t -97.19 127.35 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.876 0.87 . . . . 0.0 109.596 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -108.8 111.44 23.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.056 0.542 . . . . 0.0 110.438 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 57' ' ' LEU . 1.9 mm? -93.47 -15.84 25.14 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.849 1.26 . . . . 0.0 112.044 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.589 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 6.7 t -86.73 8.18 23.66 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.147 0.498 . . . . 0.0 112.269 -175.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.549 0.933 0 C-N-CA 122.735 0.414 . . . . 0.0 110.073 166.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttp . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.069 0.461 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -69.11 160.32 31.27 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.118 170.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.1 176.08 7.96 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.04 -166.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.439 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 76.5 m-85 -103.15 113.5 27.03 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.267 1.027 . . . . 0.0 109.556 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -95.69 109.04 21.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.088 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.7 mt -98.23 118.05 44.11 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 -175.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.589 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 43.1 p90 -136.23 179.64 6.23 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.429 0.633 . . . . 0.0 109.296 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -123.93 147.4 47.74 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 165.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -81.55 161.24 23.64 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -50.99 -35.43 33.79 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.878 1.271 . . . . 0.0 111.295 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.89 6.34 0.52 Allowed 'General case' 0 CA--C 1.567 1.625 0 C-N-CA 124.159 0.984 . . . . 0.0 113.157 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.68 28.29 73.24 Favored Glycine 0 C--N 1.349 1.294 0 C-N-CA 124.597 1.094 . . . . 0.0 112.911 -176.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -109.83 118.7 37.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.664 0.386 . . . . 0.0 110.326 -170.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.443 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 85.7 m-85 -73.77 121.11 20.31 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -172.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' B' ' 14' ' ' TYR . 29.1 mmt180 -136.25 135.84 39.36 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -122.11 173.66 7.42 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 168.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -145.0 170.48 16.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 114.403 -1.272 . . . . 0.0 111.183 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.439 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.5 t80 -122.54 133.95 54.56 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 170.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -99.87 -178.64 3.92 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.983 -171.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.619 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -127.9 165.21 20.64 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.982 1.313 . . . . 0.0 107.828 172.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -51.31 -33.43 29.0 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -172.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -101.61 6.49 42.1 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 118.104 0.411 . . . . 0.0 111.991 -176.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.19 17.99 18.54 Favored Glycine 0 C--N 1.349 1.29 0 N-CA-C 114.802 0.681 . . . . 0.0 114.802 176.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.619 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 9.0 mp0 -79.05 155.84 28.63 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 117.252 0.526 . . . . 0.0 109.747 176.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 89.0 m -120.85 135.92 55.05 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.446 ' HB2' ' HE2' ' B' ' 26' ' ' MET . 1.5 ppp? -114.0 -18.45 11.72 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.847 -175.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.4 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -163.79 167.11 21.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 161.776 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -173.59 -176.61 1.3 Allowed 'General case' 0 CA--C 1.541 0.62 0 O-C-N 125.257 1.598 . . . . 0.0 110.674 -168.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m 90.6 7.85 0.08 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 155.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.625 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -98.67 -85.44 0.38 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.085 0.554 . . . . 0.0 109.925 176.603 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 91.57 -10.74 73.99 Favored Glycine 0 C--N 1.346 1.108 0 C-N-CA 123.715 0.674 . . . . 0.0 112.515 -176.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 20.5 t80 74.24 -66.81 0.28 Allowed 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.166 1.786 . . . . 0.0 111.473 176.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -153.12 -61.21 0.14 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.106 0.479 . . . . 0.0 110.439 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.498 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -139.03 -174.73 3.93 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.773 1.229 . . . . 0.0 108.513 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -68.14 -50.18 56.26 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 118.664 0.666 . . . . 0.0 110.299 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.95 -46.92 71.73 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.234 0.614 . . . . 0.0 110.581 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.498 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 10.3 m -65.68 -28.8 69.34 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.274 178.128 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.41 72.03 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.405 0.682 . . . . 0.0 110.511 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.37 -48.4 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-O 119.298 -0.382 . . . . 0.0 110.803 172.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -57.16 -39.6 75.56 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.046 0.538 . . . . 0.0 111.131 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -58.49 -53.22 60.74 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.936 173.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.49 ' O ' ' HD2' ' B' ' 46' ' ' LYS . 61.5 mt -59.94 -26.78 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.139 0.576 . . . . 0.0 111.789 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 48.7 mt-10 -67.19 -31.57 72.06 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 39.6 m -56.28 -36.99 69.25 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.562 0.539 . . . . 0.0 111.353 171.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.514 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.2 mm -69.96 -43.63 79.23 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.519 -175.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' B' ' 42' ' ' ILE . 0.5 OUTLIER -58.29 -26.28 62.81 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.451 1.1 . . . . 0.0 112.849 178.844 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 99.2 mtt180 -63.47 -54.09 41.9 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.406 0.682 . . . . 0.0 112.529 -174.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -176.08 17.23 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 123.622 0.576 . . . . 0.0 111.621 -171.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.3 t -65.72 -31.71 72.85 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.462 -0.774 . . . . 0.0 112.383 -173.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.31 -33.55 71.24 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.57 0.348 . . . . 0.0 111.72 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.07 3.39 64.45 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.413 -0.66 . . . . 0.0 114.101 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.59 164.66 13.78 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 117.58 0.69 . . . . 0.0 111.502 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -88.84 156.86 18.69 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 41.5 m -110.7 98.06 7.32 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 44.8 t -96.46 127.57 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.024 0.93 . . . . 0.0 109.441 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -109.41 111.2 22.6 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.142 0.496 . . . . 0.0 110.293 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -93.25 -14.25 27.27 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.851 1.261 . . . . 0.0 112.157 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.545 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 5.8 t -88.81 5.9 41.45 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 118.771 0.714 . . . . 0.0 111.398 -175.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 166.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.97 149.34 49.95 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.501 0.667 . . . . 0.0 110.919 173.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.45 173.76 11.75 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.637 -170.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -99.28 110.12 22.68 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.13 0.972 . . . . 0.0 109.125 -176.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -93.81 109.8 21.48 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.5 mt -97.36 113.21 31.18 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.658 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 40.9 p90 -131.65 178.78 6.49 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -119.7 142.93 48.05 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 162.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.506 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 33.1 t70 -80.13 162.07 24.94 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.442 1.097 . . . . 0.0 109.173 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -35.17 25.33 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.621 1.568 . . . . 0.0 112.763 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.33 5.57 2.82 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.377 1.071 . . . . 0.0 112.601 174.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.53 36.72 77.36 Favored Glycine 0 C--N 1.344 0.989 0 C-N-CA 124.134 0.873 . . . . 0.0 113.095 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -109.49 123.75 49.91 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.502 0.321 . . . . 0.0 111.155 -173.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -83.12 110.21 17.83 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 95.5 mtt180 -133.43 135.73 44.77 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.652 1.181 . . . . 0.0 110.171 -169.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -112.64 144.64 41.79 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 170.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -120.53 166.38 13.69 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.744 0.818 . . . . 0.0 108.857 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.577 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 21.4 t80 -124.9 136.75 54.07 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 175.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -97.63 -177.82 3.92 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.384 -172.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -122.48 -151.24 0.47 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.583 1.153 . . . . 0.0 108.402 175.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -93.12 -27.36 16.98 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.762 0.71 . . . . 0.0 110.613 -167.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -103.72 15.26 29.23 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.057 0.943 . . . . 0.0 111.507 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.72 21.08 72.69 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 116.514 -0.312 . . . . 0.0 113.26 -173.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.568 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 53.3 mm-40 -75.94 149.64 37.65 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -110.22 136.32 49.61 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 118.632 0.651 . . . . 0.0 109.843 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.577 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.9 ppp? -113.5 -28.34 7.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.994 0.918 . . . . 0.0 112.023 -173.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.494 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 3.2 p90 -147.41 165.06 31.37 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.733 0.778 . . . . 0.0 110.759 165.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.6 t -142.0 145.56 34.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 112.837 -1.983 . . . . 0.0 105.881 168.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 t -78.26 157.28 29.31 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.8 -22.08 62.4 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.015 0.526 . . . . 0.0 110.537 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.54 42.07 0.76 Allowed Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.425 -0.807 . . . . 0.0 114.246 172.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.6 t80 4.75 -67.36 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 128.037 2.535 . . . . 0.0 116.784 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -166.23 -69.97 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.555 0.342 . . . . 0.0 111.428 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.07 177.29 10.65 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.176 0.591 . . . . 0.0 110.632 -168.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' HE2' HD11 ' A' ' 39' ' ' ILE . 20.7 tptm -65.48 -49.49 68.85 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.781 0.832 . . . . 0.0 111.446 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.78 76.32 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.075 0.464 . . . . 0.0 111.298 174.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.2 m -66.51 -25.5 66.71 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.35 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.78 -51.67 46.2 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 123.579 0.549 . . . . 0.0 110.401 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.492 HD11 ' HE2' ' A' ' 35' ' ' LYS . 2.3 mp -56.14 -50.27 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 122.889 0.476 . . . . 0.0 111.231 176.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -58.0 -39.09 77.4 Favored 'General case' 0 C--O 1.254 1.324 0 O-C-N 123.595 0.559 . . . . 0.0 111.118 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -59.97 -56.31 23.24 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.049 171.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.439 HD13 HG23 ' B' ' 54' ' ' THR . 74.4 mt -57.51 -26.54 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.416 0.686 . . . . 0.0 111.859 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 45.5 mt-10 -67.1 -33.65 75.94 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 119.338 -0.363 . . . . 0.0 110.192 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 22.2 m -54.55 -39.8 68.07 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 123.773 0.67 . . . . 0.0 111.862 169.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.498 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.1 mm -68.81 -41.63 82.35 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.51 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 9.5 mmmm -62.79 -26.34 68.67 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.814 0.845 . . . . 0.0 112.787 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 26.2 mmm180 -62.72 -56.09 20.79 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.482 -174.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -175.08 20.35 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 122.865 0.466 . . . . 0.0 111.331 -172.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.498 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 25.3 t -62.51 -32.7 73.66 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -175.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -64.7 -19.25 65.64 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 173.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.87 -4.0 42.32 Favored Glycine 0 N--CA 1.477 1.393 0 CA-C-O 119.756 -0.469 . . . . 0.0 113.787 171.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.27 137.27 48.44 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.902 0.881 . . . . 0.0 111.515 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.17 158.05 29.72 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.163 0.585 . . . . 0.0 111.172 -177.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.443 HG23 HD13 ' B' ' 42' ' ' ILE . 55.6 m -111.49 97.66 6.9 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 121.475 0.655 . . . . 0.0 109.566 177.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.4 t -94.67 131.05 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.924 1.29 . . . . 0.0 110.593 -176.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -107.0 128.76 54.64 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.664 0.786 . . . . 0.0 111.423 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -100.93 -34.04 9.95 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.999 0.919 . . . . 0.0 112.229 170.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.652 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.6 t -78.05 -21.93 49.89 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -159.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.448 HG23 HG23 ' A' ' 58' ' ' THR . 72.8 p . . . . . 0 N--CA 1.488 1.47 0 CA-C-N 118.239 0.472 . . . . 0.0 110.955 -176.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.09 157.25 22.66 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.617 0.767 . . . . 0.0 111.702 170.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.53 173.76 10.62 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.02 -171.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.524 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 94.6 m-85 -98.92 110.05 22.72 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.389 1.076 . . . . 0.0 109.493 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -93.6 110.07 21.68 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 25.5 mt -97.61 113.61 32.58 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.652 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 30.4 p90 -132.37 178.7 6.62 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -119.38 142.84 47.82 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 162.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -79.96 162.1 25.12 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.422 1.089 . . . . 0.0 109.037 -177.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -50.71 -35.8 33.0 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.485 1.514 . . . . 0.0 112.194 178.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.32 5.79 2.07 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 124.042 0.937 . . . . 0.0 112.57 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.8 36.49 74.66 Favored Glycine 0 C--N 1.346 1.114 0 C-N-CA 124.288 0.947 . . . . 0.0 112.841 -177.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -110.11 124.0 50.74 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.367 0.267 . . . . 0.0 110.664 -172.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -83.18 111.42 18.91 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -172.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -133.97 134.75 42.9 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.872 1.269 . . . . 0.0 109.946 -169.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -111.78 144.64 40.75 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 169.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -120.32 166.33 13.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.081 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.566 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 20.1 t80 -124.78 136.6 53.99 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 175.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -97.62 -177.82 3.92 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.369 -172.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -122.24 -151.61 0.48 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.668 1.187 . . . . 0.0 108.374 175.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 17.6 p -92.79 -27.44 17.19 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.455 0.57 . . . . 0.0 110.855 -168.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -103.26 15.18 29.88 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.085 0.954 . . . . 0.0 111.366 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.19 22.03 71.97 Favored Glycine 0 C--N 1.345 1.069 0 CA-C-O 120.151 -0.249 . . . . 0.0 113.134 -173.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 8.7 mm-40 -76.5 149.82 36.7 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 173.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 38.6 m -110.18 136.35 49.53 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.738 0.699 . . . . 0.0 109.635 174.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.566 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 2.0 ppp? -113.96 -27.55 7.69 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.045 0.938 . . . . 0.0 112.067 -173.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.508 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 4.5 p90 -148.16 165.11 31.88 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 121.636 0.731 . . . . 0.0 110.728 164.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.0 t -141.47 146.18 36.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 168.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 37.3 t -78.43 157.88 28.85 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -71.2 -22.59 62.0 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 122.947 0.499 . . . . 0.0 110.113 171.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.13 42.09 0.79 Allowed Glycine 0 C--N 1.349 1.274 0 CA-C-N 115.349 -0.842 . . . . 0.0 114.29 172.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.438 ' CE2' ' HB2' ' B' ' 38' ' ' ALA . 3.0 p90 7.14 -67.45 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 128.035 2.534 . . . . 0.0 116.807 171.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -168.04 -70.37 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.036 0.534 . . . . 0.0 111.302 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.07 177.32 10.93 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 122.919 0.488 . . . . 0.0 110.816 -168.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -65.75 -49.21 69.22 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.8 0.84 . . . . 0.0 111.29 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.11 -43.14 77.84 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.911 0.484 . . . . 0.0 111.262 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 18.5 m -66.85 -24.79 66.18 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.29 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' B' ' 32' ' ' TYR . . . -67.08 -53.09 34.21 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.277 0.631 . . . . 0.0 110.654 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.92 -49.28 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 123.669 0.606 . . . . 0.0 111.074 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -57.93 -39.29 77.65 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 123.781 0.676 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -60.24 -56.16 24.96 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.939 172.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.443 HD13 HG23 ' A' ' 54' ' ' THR . 64.7 mt -57.8 -26.67 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.295 0.638 . . . . 0.0 111.595 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 41.3 mt-10 -66.4 -34.14 77.29 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.6 0.36 . . . . 0.0 110.1 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 21.7 m -54.32 -40.05 67.61 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.831 0.707 . . . . 0.0 111.623 169.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.524 HG21 ' HZ ' ' B' ' 4' ' ' PHE . 3.0 mm -68.77 -41.52 82.44 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -175.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.2 mmmm -63.34 -25.6 68.37 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.692 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 25.3 mmt180 -62.69 -56.6 16.2 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 124.093 0.871 . . . . 0.0 112.411 -174.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -174.51 20.43 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 123.441 0.463 . . . . 0.0 111.436 -172.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.1 t -62.18 -33.11 73.91 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.276 0.63 . . . . 0.0 112.556 -175.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.51 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.29 -19.22 65.26 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 173.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.75 -3.55 39.89 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 123.194 0.426 . . . . 0.0 113.71 172.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.51 137.22 47.97 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.69 0.796 . . . . 0.0 111.721 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.35 158.22 29.76 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.813 0.445 . . . . 0.0 111.533 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.439 HG23 HD13 ' A' ' 42' ' ' ILE . 25.7 m -111.11 97.39 6.77 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.262 0.553 . . . . 0.0 109.673 177.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 92.8 t -94.19 130.44 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.999 1.32 . . . . 0.0 110.733 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.85 128.63 53.88 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.822 0.849 . . . . 0.0 111.499 173.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -101.09 -34.52 9.69 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.939 0.896 . . . . 0.0 112.24 169.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.658 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.4 t -76.45 -15.11 59.99 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -159.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 65.9 p . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.526 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 ttm . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -171.84 162.5 6.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.574 1.15 . . . . 0.0 110.175 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -166.0 -179.54 5.25 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.177 -175.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.479 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 83.0 m-85 -99.85 113.3 25.73 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.382 1.073 . . . . 0.0 109.743 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.65 112.49 24.23 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.5 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 26.0 mt -99.39 114.33 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -174.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.611 ' HE1' ' HG3' ' A' ' 17' ' ' ARG . 27.2 p90 -134.22 168.62 18.53 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.439 ' HG2' HG21 ' B' ' 61' ' ' THR . 0.9 OUTLIER -111.34 142.45 43.56 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 169.764 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.47 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 36.0 t70 -77.93 163.61 25.85 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 123.667 0.787 . . . . 0.0 109.581 177.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -48.04 -33.17 7.62 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.132 1.373 . . . . 0.0 112.493 176.179 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.414 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -73.38 7.53 2.23 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 124.771 1.228 . . . . 0.0 112.468 176.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.46 22.67 77.8 Favored Glycine 0 C--N 1.346 1.107 0 C-N-CA 123.565 0.603 . . . . 0.0 112.671 -173.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 34.6 mt-10 -94.21 94.86 8.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.65 0.38 . . . . 0.0 111.518 -170.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.481 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 95.7 m-85 -53.76 131.32 39.24 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.49 171.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.19 170.44 22.27 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 125.153 1.533 . . . . 0.0 109.727 -172.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -145.76 138.82 26.02 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.622 ' HD2' HG21 ' A' ' 25' ' ' THR . 23.0 mtm180 -107.29 165.01 11.7 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.66 0.784 . . . . 0.0 109.029 173.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.564 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 21.6 t80 -127.16 142.24 51.55 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 173.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -98.91 -177.5 3.66 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.293 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.435 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . . . -134.42 161.08 36.01 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.805 1.242 . . . . 0.0 108.322 175.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 p -54.61 -28.43 46.57 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.345 1.058 . . . . 0.0 113.367 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -86.06 16.75 4.0 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.437 0.695 . . . . 0.0 111.174 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.48 49.98 68.83 Favored Glycine 0 C--N 1.354 1.547 0 C-N-CA 123.585 0.612 . . . . 0.0 113.604 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' HG3' ' HB3' ' A' ' 20' ' ' ALA . 6.9 pt-20 -140.09 138.92 35.71 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.151 0.58 . . . . 0.0 109.897 -175.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.622 HG21 ' HD2' ' A' ' 17' ' ' ARG . 54.4 m -78.42 141.97 37.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.293 0.637 . . . . 0.0 109.957 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.564 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.3 ppp? -120.29 -21.46 6.92 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.031 0.932 . . . . 0.0 111.665 -176.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.563 ' HE2' ' HB2' ' A' ' 29' ' ' SER . 3.3 p90 -152.22 161.89 41.95 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.497 0.665 . . . . 0.0 111.165 167.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.4 t -130.93 141.91 50.32 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 113.263 -1.789 . . . . 0.0 107.12 166.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.563 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 43.0 t -102.61 175.11 5.61 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.344 0.592 . . . . 0.0 110.405 -173.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.543 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 10.2 pt-20 -79.75 -16.1 56.24 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.471 169.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.481 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 74.57 -2.05 49.16 Favored Glycine 0 C--N 1.363 2.041 0 N-CA-C 115.597 0.999 . . . . 0.0 115.597 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.543 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 3.0 t80 82.79 -53.55 0.19 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.995 1.718 . . . . 0.0 111.624 169.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -165.88 -57.45 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.332 0.653 . . . . 0.0 111.128 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.52 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -146.1 -171.78 3.79 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.817 0.847 . . . . 0.0 109.314 -169.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.519 ' NZ ' HG23 ' B' ' 58' ' ' THR . 22.6 ttmm -65.27 -49.68 68.66 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.23 0.468 . . . . 0.0 110.763 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.48 -39.4 73.18 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.285 0.634 . . . . 0.0 111.193 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.52 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.6 m -72.5 -30.32 64.4 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.997 177.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.09 -54.72 18.74 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.799 0.84 . . . . 0.0 110.511 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.418 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 2.1 mp -57.39 -47.97 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 123.385 0.674 . . . . 0.0 110.712 175.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -57.21 -38.6 73.97 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.217 0.607 . . . . 0.0 111.531 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.47 -53.36 57.43 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.441 ' HA ' HG12 ' A' ' 45' ' ' ILE . 72.7 mt -58.57 -27.59 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 122.814 0.446 . . . . 0.0 111.529 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 56.7 mm-40 -62.63 -39.54 94.15 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.989 0.515 . . . . 0.0 110.117 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.3 m -54.39 -38.72 66.49 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 123.849 0.718 . . . . 0.0 112.112 172.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.492 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.1 mm -69.31 -40.58 80.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -175.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.535 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.5 mmmm -62.74 -21.79 66.06 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -177.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 38.0 mmt-85 -72.32 -60.28 2.31 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.846 -172.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -163.64 17.25 0.07 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 122.75 0.42 . . . . 0.0 110.981 -170.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 22.8 t -64.47 -32.15 73.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.694 -0.629 . . . . 0.0 112.423 -175.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.39 -23.05 67.24 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.965 172.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.32 -7.97 36.53 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-O 119.489 -0.617 . . . . 0.0 113.811 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.52 151.68 36.83 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.796 0.838 . . . . 0.0 111.545 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -76.37 159.33 30.6 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.161 0.505 . . . . 0.0 110.444 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -119.63 99.36 6.61 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.105 0.562 . . . . 0.0 109.647 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.16 126.08 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.56 1.144 . . . . 0.0 109.373 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.565 ' CG ' ' HZ1' ' B' ' 35' ' ' LYS . 12.4 t70 -99.18 111.14 23.59 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.065 0.546 . . . . 0.0 110.393 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.78 -30.77 45.76 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.866 0.867 . . . . 0.0 112.441 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.69 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 12.3 t -81.76 12.6 3.8 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -166.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 p -76.74 70.54 3.23 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 168.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 65.9 mtt -125.62 128.81 48.46 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.094 0.957 . . . . 0.0 110.127 -170.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.9 p -68.83 118.04 11.27 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.325 0.65 . . . . 0.0 110.543 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.273 0 C-N-CA 123.735 0.814 . . . . 0.0 109.54 -176.799 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ttt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -165.64 157.13 14.25 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.87 1.268 . . . . 0.0 109.561 171.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 179.0 8.04 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.271 0.628 . . . . 0.0 111.814 -171.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.502 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 84.6 m-85 -99.52 112.95 25.08 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 124.419 1.088 . . . . 0.0 109.718 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.447 ' HB2' ' HG2' ' B' ' 17' ' ' ARG . 33.4 mt-10 -94.73 112.62 24.35 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 23.1 mt -99.18 114.75 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -174.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.69 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 46.2 p90 -134.3 167.7 20.23 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -111.33 142.38 43.64 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 168.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.55 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 26.7 t70 -77.93 163.89 25.6 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.14 0.976 . . . . 0.0 109.013 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -33.32 10.19 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 125.034 1.334 . . . . 0.0 112.432 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.31 7.91 2.0 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 124.64 1.176 . . . . 0.0 112.669 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.76 23.39 76.84 Favored Glycine 0 C--N 1.35 1.306 0 C-N-CA 123.803 0.716 . . . . 0.0 112.888 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.55 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 39.1 mt-10 -93.45 95.57 9.36 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.677 0.391 . . . . 0.0 111.146 -170.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.487 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 60.5 m-85 -55.4 129.16 37.57 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.124 0.57 . . . . 0.0 110.503 171.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -153.75 170.51 20.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.274 1.829 . . . . 0.0 109.085 -172.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -146.04 139.4 26.04 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.447 ' HG2' ' HB2' ' B' ' 5' ' ' GLU . 8.9 ptp180 -107.63 165.8 11.15 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.555 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 23.0 t80 -127.67 142.01 51.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -99.05 -177.9 3.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.229 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.98 161.41 34.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.613 1.165 . . . . 0.0 108.033 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 88.2 p -54.82 -28.77 51.95 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.316 1.046 . . . . 0.0 113.338 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -86.23 17.59 3.59 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 123.493 0.717 . . . . 0.0 111.518 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.67 48.47 81.16 Favored Glycine 0 C--N 1.352 1.444 0 C-N-CA 123.815 0.721 . . . . 0.0 113.761 175.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -139.18 139.82 37.64 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.264 0.626 . . . . 0.0 110.11 -176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 90.4 m -78.76 142.05 37.33 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.445 0.698 . . . . 0.0 109.936 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.555 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.4 ppp? -120.16 -21.55 6.96 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.549 -176.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.572 ' HE2' ' HB3' ' B' ' 29' ' ' SER . 3.0 p90 -152.22 161.25 42.89 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.606 0.717 . . . . 0.0 111.137 168.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -130.48 141.51 50.51 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 113.39 -1.732 . . . . 0.0 106.926 166.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.572 ' HB3' ' HE2' ' B' ' 27' ' ' PHE . 86.2 p -102.59 176.92 5.01 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.195 0.522 . . . . 0.0 110.265 -174.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -82.39 -13.8 56.26 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.575 169.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 73.93 -1.3 47.88 Favored Glycine 0 C--N 1.356 1.689 0 N-CA-C 115.498 0.959 . . . . 0.0 115.498 -178.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 82.63 -53.72 0.2 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.666 1.587 . . . . 0.0 111.68 169.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -166.45 -57.84 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.447 0.699 . . . . 0.0 110.949 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.509 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -146.52 -171.14 3.68 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.728 0.811 . . . . 0.0 108.978 -169.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.565 ' HZ1' ' CG ' ' A' ' 56' ' ' ASP . 24.6 tttp -66.16 -49.42 67.47 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.254 0.621 . . . . 0.0 110.577 178.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.13 73.35 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.647 0.779 . . . . 0.0 110.973 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.509 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 8.1 m -72.98 -30.56 63.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.859 0.864 . . . . 0.0 111.015 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.91 -54.6 20.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.814 0.846 . . . . 0.0 110.508 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.43 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.2 mp -57.75 -47.55 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.192 0.597 . . . . 0.0 110.942 175.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.6 -39.11 73.01 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 123.454 0.701 . . . . 0.0 111.772 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.62 -53.66 53.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.314 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.418 ' HA ' HG12 ' B' ' 45' ' ' ILE . 73.2 mt -58.08 -28.23 33.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 122.885 0.474 . . . . 0.0 111.352 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.461 ' HB3' HH21 ' B' ' 47' ' ' ARG . 51.9 mt-10 -62.5 -39.23 92.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.851 0.461 . . . . 0.0 109.973 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 7.8 m -54.69 -38.72 67.34 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.692 0.62 . . . . 0.0 112.115 172.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.502 HG21 ' HZ ' ' B' ' 4' ' ' PHE . 3.3 mm -68.84 -40.54 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -175.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.1 mmmm -63.06 -21.95 66.52 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.119 -0.946 . . . . 0.0 113.395 -176.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.461 HH21 ' HB3' ' B' ' 43' ' ' GLU . 21.7 mmt180 -71.39 -61.21 1.86 Allowed 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.491 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -163.51 17.72 0.07 Allowed 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.867 0.467 . . . . 0.0 111.233 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.483 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 23.0 t -64.22 -32.36 73.91 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.695 -0.628 . . . . 0.0 112.254 -176.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.42 -22.69 67.03 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.81 0.444 . . . . 0.0 111.915 172.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.41 -8.07 36.11 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-O 119.371 -0.683 . . . . 0.0 113.932 173.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.59 151.25 38.42 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.848 0.859 . . . . 0.0 111.566 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -75.36 158.6 32.52 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.221 0.534 . . . . 0.0 110.563 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 41.7 m -119.57 99.57 6.75 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.406 0.683 . . . . 0.0 109.608 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.79 125.69 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.743 1.217 . . . . 0.0 109.505 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.5 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.3 t70 -99.42 110.03 22.56 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.37 0.668 . . . . 0.0 110.259 175.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 mp -77.74 -30.51 51.64 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.349 1.06 . . . . 0.0 111.955 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.608 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.6 t -81.81 7.01 13.81 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 118.166 0.439 . . . . 0.0 112.059 -167.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 p -72.98 -34.25 66.33 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 167.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 81.7 mtp -128.95 78.47 1.85 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 165.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.439 HG21 ' HG2' ' A' ' 8' ' ' GLN . 2.8 m -59.1 145.7 41.31 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.223 1.009 . . . . 0.0 113.062 -166.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.253 1.021 . . . . 0.0 109.567 -173.764 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.75 172.89 16.26 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.171 0.588 . . . . 0.0 112.329 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.418 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -157.25 174.98 14.63 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.563 -174.183 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.453 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 76.9 m-85 -100.92 120.69 40.53 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.354 1.062 . . . . 0.0 109.642 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 16' ' ' PHE . 78.2 mt-10 -92.34 107.35 19.15 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.592 0.757 . . . . 0.0 110.005 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.49 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 38.1 mt -100.67 113.78 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.567 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 20.8 p90 -138.87 178.29 7.26 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -177.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -115.52 141.56 47.89 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 163.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.572 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 19.4 t70 -78.38 165.72 23.49 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -51.02 -35.33 33.55 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.224 1.01 . . . . 0.0 112.308 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HB3' ' HG2' ' A' ' 13' ' ' GLU . . . -73.97 6.58 3.24 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 123.879 0.872 . . . . 0.0 112.637 176.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.04 29.43 60.66 Favored Glycine 0 C--N 1.351 1.363 0 C-N-CA 124.314 0.959 . . . . 0.0 112.444 -175.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 11.4 mm-40 -92.96 89.17 6.43 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.344 0.258 . . . . 0.0 110.991 -171.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.405 ' CD1' ' HB3' ' A' ' 35' ' ' LYS . 64.1 m-85 -59.02 125.13 22.36 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.099 0.476 . . . . 0.0 111.297 173.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -169.61 165.97 10.08 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 114.204 -1.362 . . . . 0.0 111.693 -172.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 48.4 p90 -128.34 144.2 51.1 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.56 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.666 ' HD2' HG21 ' A' ' 25' ' ' THR . 41.8 mtm180 -108.2 165.03 11.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.392 1.077 . . . . 0.0 108.562 170.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.552 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 20.1 t80 -125.87 138.6 53.81 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 170.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -100.21 -178.38 3.81 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.148 0.979 . . . . 0.0 111.852 -173.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.37 162.47 30.05 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.273 -1.33 . . . . 0.0 108.693 174.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.5 p -53.16 -26.33 16.71 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -85.31 -1.82 57.39 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.137 0.575 . . . . 0.0 111.898 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.35 28.98 46.57 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 123.023 0.344 . . . . 0.0 112.429 -172.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -103.11 124.83 49.31 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.354 0.662 . . . . 0.0 110.576 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.666 HG21 ' HD2' ' A' ' 17' ' ' ARG . 93.6 m -77.77 129.65 35.74 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 173.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.566 ' HE1' ' HD1' ' A' ' 27' ' ' PHE . 1.5 ppp? -108.3 -17.98 13.87 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.663 0.785 . . . . 0.0 112.171 -176.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.566 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 5.4 p90 -156.95 163.58 38.97 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.46 0.648 . . . . 0.0 111.912 166.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 t -129.05 141.16 51.32 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.336 -1.756 . . . . 0.0 106.681 169.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.451 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 36.0 t -101.91 178.9 4.48 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.103 0.561 . . . . 0.0 110.128 -174.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -93.99 -6.96 44.18 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.495 0.718 . . . . 0.0 109.599 169.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.46 3.51 82.86 Favored Glycine 0 C--N 1.357 1.723 0 N-CA-C 114.608 0.603 . . . . 0.0 114.608 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.531 ' HD2' ' HB3' ' A' ' 37' ' ' SER . 76.7 t80 75.74 -63.05 0.42 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.453 1.501 . . . . 0.0 111.101 176.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -152.87 -49.51 0.1 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.283 0.633 . . . . 0.0 111.107 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -151.61 -175.34 5.16 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.658 0.783 . . . . 0.0 109.585 -172.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -70.11 -46.31 65.07 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 119.115 0.871 . . . . 0.0 110.969 -178.681 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.474 ' N ' ' HD3' ' A' ' 35' ' ' LYS . . . -59.2 -40.76 86.76 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.076 0.551 . . . . 0.0 110.467 177.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.531 ' HB3' ' HD2' ' A' ' 32' ' ' TYR . 4.4 m -65.68 -29.87 70.48 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.874 176.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.61 66.65 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.269 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -54.8 -50.85 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 123.157 0.583 . . . . 0.0 110.882 172.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -58.33 -37.02 74.28 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.392 0.677 . . . . 0.0 111.152 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -62.57 -51.24 68.11 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.49 173.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.514 ' HA ' HG12 ' A' ' 45' ' ' ILE . 73.2 mt -61.06 -25.55 36.48 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 O-C-N 122.053 -0.405 . . . . 0.0 111.653 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 46.7 mt-10 -69.55 -30.64 68.49 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 37.7 m -57.56 -39.49 76.8 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 123.743 0.652 . . . . 0.0 111.427 169.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.514 HG12 ' HA ' ' A' ' 42' ' ' ILE . 3.9 mm -67.91 -41.2 84.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -173.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HD2' ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -57.84 -28.96 64.59 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.611 1.164 . . . . 0.0 113.787 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.5 mmt180 -70.69 -47.94 57.25 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -170.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -174.07 16.49 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 123.332 0.395 . . . . 0.0 111.913 -172.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.513 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.2 t -66.05 -30.56 71.11 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.445 -0.784 . . . . 0.0 112.179 -175.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.24 -37.75 75.5 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 123.424 0.452 . . . . 0.0 111.679 171.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.06 2.27 65.84 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.705 -0.497 . . . . 0.0 113.941 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.08 157.84 24.3 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.512 0.725 . . . . 0.0 112.164 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' B' ' 3' ' ' LYS . 29.8 t0 -83.45 153.34 24.52 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 m -117.15 100.83 7.98 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.896 0.478 . . . . 0.0 109.833 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.7 t -105.32 130.09 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.673 0.789 . . . . 0.0 110.319 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.718 ' HB2' HG23 ' A' ' 59' ' ' THR . 5.2 m-20 -98.62 108.4 21.08 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.869 0.868 . . . . 0.0 109.377 175.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mp -77.8 -14.58 59.54 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.244 1.018 . . . . 0.0 111.226 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -100.37 21.6 12.87 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 123.498 0.719 . . . . 0.0 110.429 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.718 HG23 ' HB2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -55.27 111.35 0.85 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.636 0.774 . . . . 0.0 110.891 173.443 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.9 tpp -99.78 45.52 0.99 Allowed 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 121.991 0.9 . . . . 0.0 108.772 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.7 p -71.37 113.45 8.43 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.413 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 C-N-CA 124.296 1.038 . . . . 0.0 108.919 179.501 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ttt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.99 174.05 14.34 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.651 0.78 . . . . 0.0 111.553 175.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -158.44 175.26 13.92 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.486 -174.032 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.44 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 71.7 m-85 -101.09 120.62 40.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.421 1.089 . . . . 0.0 109.57 174.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' B' ' 16' ' ' PHE . 42.7 mt-10 -92.75 107.43 19.21 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.785 0.834 . . . . 0.0 109.81 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.446 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 56.6 mt -100.72 113.86 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.469 ' HE1' ' HG3' ' B' ' 17' ' ' ARG . 5.9 p90 -139.2 178.11 7.42 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -177.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -115.33 141.45 48.02 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 163.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.629 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 24.9 t70 -78.17 165.23 24.19 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -49.62 -35.27 20.49 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.552 1.141 . . . . 0.0 112.939 178.299 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.525 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . . . -75.24 6.92 3.84 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.094 0.958 . . . . 0.0 112.331 177.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.54 29.56 61.49 Favored Glycine 0 C--N 1.345 1.07 0 C-N-CA 124.441 1.02 . . . . 0.0 112.476 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.629 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 16.2 mm-40 -92.7 89.8 6.81 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.316 0.246 . . . . 0.0 110.742 -172.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.43 ' CD1' ' HB2' ' B' ' 35' ' ' LYS . 51.4 m-85 -59.67 125.45 23.69 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.212 0.529 . . . . 0.0 111.4 173.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.403 ' HE ' ' HB2' ' B' ' 9' ' ' ASP . 17.1 ptt180 -169.09 165.77 11.1 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.357 -171.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' B' ' 5' ' ' GLU . 48.5 p90 -128.45 143.92 51.06 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.612 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.504 ' HD2' HG21 ' B' ' 25' ' ' THR . 22.7 mtm180 -107.52 165.43 11.42 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.273 1.029 . . . . 0.0 108.473 170.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.53 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 19.6 t80 -126.03 138.4 53.72 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 169.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -100.22 -178.26 3.77 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.041 0.936 . . . . 0.0 111.728 -173.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.31 162.45 30.03 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.183 -1.372 . . . . 0.0 108.889 174.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.1 p -53.89 -25.37 19.75 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -84.9 -1.91 57.18 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.329 0.651 . . . . 0.0 112.32 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.11 28.9 47.98 Favored Glycine 0 C--N 1.341 0.823 0 O-C-N 123.45 0.469 . . . . 0.0 112.297 -172.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -102.29 124.67 48.29 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.448 0.699 . . . . 0.0 110.568 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.504 HG21 ' HD2' ' B' ' 17' ' ' ARG . 98.7 m -77.88 129.61 35.59 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 173.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.552 ' HE1' ' HD1' ' B' ' 27' ' ' PHE . 1.5 ppp? -108.61 -17.53 13.94 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.487 -0.778 . . . . 0.0 112.088 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.552 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 6.1 p90 -156.88 163.98 38.56 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.562 0.696 . . . . 0.0 111.785 166.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -129.5 141.02 51.09 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 113.421 -1.718 . . . . 0.0 106.764 169.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.456 ' HB2' ' HE2' ' B' ' 27' ' ' PHE . 36.4 t -101.83 178.18 4.69 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.172 0.589 . . . . 0.0 110.154 -174.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -92.55 -7.41 47.29 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.298 0.639 . . . . 0.0 109.847 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.37 3.81 83.06 Favored Glycine 0 C--N 1.356 1.67 0 N-CA-C 114.884 0.714 . . . . 0.0 114.884 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.506 ' HD2' ' HB3' ' B' ' 37' ' ' SER . 80.5 t80 75.63 -63.34 0.41 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.429 1.492 . . . . 0.0 111.089 176.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -152.67 -49.48 0.1 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.468 0.707 . . . . 0.0 111.218 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.463 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -151.24 -175.51 5.19 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.627 0.771 . . . . 0.0 109.124 -172.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.43 ' HB2' ' CD1' ' B' ' 14' ' ' TYR . 48.1 tttm -70.07 -47.4 62.09 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.978 0.808 . . . . 0.0 110.685 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.24 81.1 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.254 0.549 . . . . 0.0 110.741 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.506 ' HB3' ' HD2' ' B' ' 32' ' ' TYR . 3.7 m -65.98 -29.87 70.33 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.819 176.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.78 67.02 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.869 0.868 . . . . 0.0 110.327 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.405 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.9 mp -54.84 -50.39 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 118.301 0.5 . . . . 0.0 110.949 172.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -59.06 -36.23 74.7 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.106 0.562 . . . . 0.0 111.673 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -62.62 -51.69 66.29 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.367 172.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.502 ' O ' ' HD2' ' B' ' 46' ' ' LYS . 77.8 mt -61.01 -25.66 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 O-C-N 122.092 -0.38 . . . . 0.0 111.682 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 47.7 mt-10 -68.91 -30.12 68.53 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.434 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 32.2 m -58.57 -39.04 79.19 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.144 0.578 . . . . 0.0 111.362 169.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.518 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.2 mm -67.95 -41.53 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 124.025 0.828 . . . . 0.0 108.967 -174.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.502 ' HD2' ' O ' ' B' ' 42' ' ' ILE . 0.7 OUTLIER -57.52 -29.64 64.5 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.824 1.249 . . . . 0.0 113.79 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 31.2 mmm180 -69.8 -47.91 61.08 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -170.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -174.59 16.21 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 O-C-N 123.371 0.419 . . . . 0.0 111.98 -171.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.518 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 24.0 t -66.25 -30.63 71.11 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.405 -0.809 . . . . 0.0 112.214 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.24 76.87 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.753 0.421 . . . . 0.0 111.492 171.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.33 2.74 68.44 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 119.567 -0.574 . . . . 0.0 113.977 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.58 157.58 26.56 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.5 0.72 . . . . 0.0 112.229 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.418 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 19.8 t70 -82.49 152.84 25.89 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 16.8 m -116.48 100.55 7.94 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.035 0.534 . . . . 0.0 110.211 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.1 p -105.1 130.78 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.264 0.626 . . . . 0.0 110.656 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.49 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.5 t70 -98.79 108.43 21.12 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.956 0.903 . . . . 0.0 110.212 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.16 -19.76 50.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.29 1.036 . . . . 0.0 112.206 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.567 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 8.9 t -89.52 12.66 15.92 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 118.409 0.549 . . . . 0.0 111.515 -174.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 p -80.31 -23.21 40.82 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 168.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 44.9 ttm -118.92 83.88 2.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.245 1.018 . . . . 0.0 108.432 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 51.1 p -107.15 115.81 30.84 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 171.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -179.093 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.0 ttp . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.42 172.8 2.37 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.711 0.804 . . . . 0.0 112.571 173.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.89 178.65 8.71 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.417 -172.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.32 120.36 39.82 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.712 1.205 . . . . 0.0 109.375 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.457 ' HB2' ' HG2' ' A' ' 17' ' ' ARG . 46.6 mt-10 -96.7 111.32 23.53 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 175.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.495 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 42.4 mt -102.8 116.04 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.648 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 35.9 p90 -139.9 -177.85 5.17 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -122.22 155.48 35.76 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 165.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -88.23 159.75 18.0 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.356 -1.293 . . . . 0.0 108.69 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -34.27 2.23 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.681 1.593 . . . . 0.0 113.353 176.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.8 4.7 3.06 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.097 0.959 . . . . 0.0 112.91 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.51 35.07 89.5 Favored Glycine 0 C--N 1.36 1.891 0 C-N-CA 123.917 0.77 . . . . 0.0 112.39 -174.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -111.05 130.28 55.65 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.019 0.528 . . . . 0.0 109.611 -174.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -84.88 127.32 34.1 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -128.04 135.21 49.54 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -122.18 131.09 53.77 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 167.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' HD2' ' HE1' ' A' ' 7' ' ' TYR . 8.9 ptm180 -113.07 164.83 12.99 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.999 0.919 . . . . 0.0 109.059 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.662 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 15.1 t80 -121.62 133.56 54.99 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 171.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -98.6 -179.64 4.38 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.619 -173.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . . . -132.17 162.6 30.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.226 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 m -53.01 -35.19 59.13 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.622 1.169 . . . . 0.0 113.331 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.461 HD21 ' HB3' ' A' ' 24' ' ' GLU . 4.6 p-10 -83.38 -3.09 57.2 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.986 0.514 . . . . 0.0 111.887 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.9 49.36 6.49 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 123.5 0.571 . . . . 0.0 112.98 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' HB3' HD21 ' A' ' 22' ' ' ASN . 10.0 pt-20 -125.15 154.06 42.07 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 174.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.3 m -95.36 144.52 25.83 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.207 0.603 . . . . 0.0 109.585 174.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.662 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.9 ppp? -121.33 -30.51 4.27 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.606 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.444 ' N ' ' SD ' ' A' ' 26' ' ' MET . 3.3 p90 -138.44 149.13 45.17 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.571 0.7 . . . . 0.0 110.901 167.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 m -123.8 132.42 53.78 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 113.327 -1.76 . . . . 0.0 106.47 169.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -111.99 164.79 12.74 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 123.302 0.641 . . . . 0.0 109.523 -174.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.65 2.18 20.32 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.973 0.909 . . . . 0.0 111.807 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.06 -6.98 61.09 Favored Glycine 0 N--CA 1.477 1.373 0 CA-C-O 120.055 -0.303 . . . . 0.0 113.693 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.9 t80 78.8 -52.11 0.46 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.599 1.96 . . . . 0.0 111.649 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -165.35 -57.82 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.598 0.759 . . . . 0.0 110.364 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -146.36 -169.99 3.39 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.043 0.937 . . . . 0.0 108.62 -174.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -65.75 -47.5 75.03 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.569 0.622 . . . . 0.0 110.677 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.86 -44.5 70.41 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.213 0.53 . . . . 0.0 110.787 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.441 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 14.8 m -72.19 -28.42 63.19 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.15 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.81 -55.55 14.39 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 123.537 0.735 . . . . 0.0 110.72 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.476 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 2.8 mp -60.11 -48.48 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-O 118.929 -0.558 . . . . 0.0 110.36 177.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -57.14 -39.74 75.78 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 123.561 0.538 . . . . 0.0 110.864 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.73 -56.13 26.1 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 173.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.467 HG22 ' HD3' ' A' ' 46' ' ' LYS . 87.7 mt -57.63 -24.64 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 123.519 0.728 . . . . 0.0 111.981 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' HA ' ' HG2' ' A' ' 46' ' ' LYS . 23.3 mm-40 -66.78 -28.75 68.64 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.916 0.486 . . . . 0.0 110.569 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -55.56 -43.47 75.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 123.651 0.595 . . . . 0.0 112.109 165.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.494 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.7 mm -66.13 -41.02 88.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-O 121.573 0.701 . . . . 0.0 109.148 -172.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.532 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 6.6 mmmm -61.69 -22.21 65.14 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 114.76 -1.109 . . . . 0.0 113.277 -174.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 16.2 mmt180 -77.31 -63.77 1.29 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.195 -172.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -153.26 15.5 0.53 Allowed 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 122.366 0.266 . . . . 0.0 111.693 -169.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.494 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 21.7 t -67.2 -33.73 76.01 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -174.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.497 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -60.97 -26.34 67.48 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.85 0.46 . . . . 0.0 111.914 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.72 -4.03 39.8 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-O 119.619 -0.545 . . . . 0.0 113.878 175.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.26 140.25 58.7 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.689 0.796 . . . . 0.0 110.627 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.8 154.74 41.44 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 117.782 0.264 . . . . 0.0 110.421 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.7 m -115.81 99.88 7.61 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.238 0.615 . . . . 0.0 109.775 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.0 t -99.54 127.67 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.687 0.795 . . . . 0.0 109.724 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 13.6 t70 -104.08 112.28 25.22 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.205 0.602 . . . . 0.0 109.587 173.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.37 -20.6 28.03 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.283 1.433 . . . . 0.0 112.271 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.668 HG23 ' HZ3' ' B' ' 35' ' ' LYS . 10.3 t -92.89 15.94 13.68 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.582 0.706 . . . . 0.0 111.441 -171.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.28 2.52 24.29 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.22 0.608 . . . . 0.0 109.961 166.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 24.3 ttt -73.87 -39.26 64.08 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.701 0.8 . . . . 0.0 109.899 166.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.0 p -91.71 148.62 22.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.552 0.741 . . . . 0.0 110.864 -176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 C-N-CA 124.111 0.964 . . . . 0.0 108.789 177.28 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.3 ttm . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.412 ' OH ' ' HB2' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -157.17 178.52 10.24 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.824 0.85 . . . . 0.0 111.311 177.307 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.65 178.23 7.46 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 123.422 0.689 . . . . 0.0 112.029 -174.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -100.49 120.11 39.5 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.014 1.326 . . . . 0.0 109.226 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.93 111.05 23.43 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.435 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 28.4 mt -103.11 116.08 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.63 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 21.1 p90 -139.88 -177.79 5.14 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -122.75 154.23 38.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 166.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -87.43 160.21 18.4 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.147 1.379 . . . . 0.0 108.263 175.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -34.24 3.34 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.794 1.638 . . . . 0.0 113.165 176.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.37 4.46 2.93 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.189 0.996 . . . . 0.0 112.894 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.81 34.89 88.68 Favored Glycine 0 C--N 1.348 1.234 0 C-N-CA 123.835 0.731 . . . . 0.0 112.504 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.45 130.84 55.47 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.114 0.566 . . . . 0.0 109.889 -174.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -84.72 127.86 34.32 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -173.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -128.18 135.04 49.18 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 175.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -121.92 131.02 53.8 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 166.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.528 ' HD2' HG21 ' B' ' 25' ' ' THR . 24.6 mtm180 -112.42 165.3 12.33 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 123.964 0.906 . . . . 0.0 109.216 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.647 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 16.7 t80 -122.12 133.31 54.76 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 171.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -98.1 -178.96 4.23 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.854 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.31 162.3 32.19 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.043 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -53.35 -34.41 57.45 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.706 1.202 . . . . 0.0 113.567 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -83.18 -4.63 58.59 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.423 0.689 . . . . 0.0 111.291 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.31 47.35 6.98 Favored Glycine 0 C--N 1.344 0.985 0 C-N-CA 123.451 0.548 . . . . 0.0 112.875 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -123.47 152.97 41.13 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.388 0.675 . . . . 0.0 109.582 174.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.528 HG21 ' HD2' ' B' ' 17' ' ' ARG . 63.6 m -94.48 144.19 25.78 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.293 0.637 . . . . 0.0 109.437 174.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.647 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.9 ppp? -121.17 -30.69 4.28 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.547 -175.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.442 ' N ' ' SD ' ' B' ' 26' ' ' MET . 3.7 p90 -138.17 149.09 45.52 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.539 0.685 . . . . 0.0 110.784 167.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.3 m -123.15 132.53 54.11 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 113.404 -1.726 . . . . 0.0 106.544 170.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -112.72 164.77 12.97 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.052 0.541 . . . . 0.0 109.575 -174.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' B' ' 32' ' ' TYR . 10.3 pt-20 -77.83 2.34 17.52 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.671 0.788 . . . . 0.0 111.649 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.38 -6.84 59.41 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-O 119.901 -0.388 . . . . 0.0 113.964 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.416 ' H ' ' HG3' ' B' ' 30' ' ' GLU . 4.8 t80 78.08 -51.48 0.5 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.68 1.992 . . . . 0.0 111.535 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -165.28 -58.02 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.733 0.813 . . . . 0.0 110.342 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.425 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -145.7 -169.88 3.33 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.886 0.874 . . . . 0.0 108.642 -174.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.668 ' HZ3' HG23 ' A' ' 58' ' ' THR . 17.9 ttmm -65.49 -47.72 75.08 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.462 0.574 . . . . 0.0 110.477 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.66 -44.2 73.07 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.933 0.493 . . . . 0.0 110.683 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.425 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 6.3 m -72.11 -28.89 63.58 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.01 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.35 -55.66 14.85 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.624 0.77 . . . . 0.0 110.778 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 mp -60.01 -47.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 122.883 0.473 . . . . 0.0 110.638 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -58.23 -39.22 78.5 Favored 'General case' 0 C--O 1.258 1.508 0 O-C-N 123.582 0.551 . . . . 0.0 110.679 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.28 -56.14 25.91 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.459 HG22 ' HD3' ' B' ' 46' ' ' LYS . 88.4 mt -57.32 -24.81 22.19 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 123.583 0.753 . . . . 0.0 111.895 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.545 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 46.5 mt-10 -67.04 -28.15 67.99 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 122.719 0.408 . . . . 0.0 110.819 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.3 m -55.65 -43.46 76.27 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 123.443 0.465 . . . . 0.0 112.036 165.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.495 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.8 mm -66.5 -40.82 87.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -172.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.545 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.6 mmmm -62.19 -22.02 65.58 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 114.869 -1.06 . . . . 0.0 113.446 -174.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 26.4 mmm180 -76.21 -65.82 0.87 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.894 -172.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -151.59 14.98 0.67 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.035 0.534 . . . . 0.0 111.86 -169.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.495 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 19.8 t -67.23 -33.41 75.3 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -173.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -61.16 -26.62 67.82 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.878 0.471 . . . . 0.0 112.031 172.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.32 -4.4 40.84 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-O 119.377 -0.679 . . . . 0.0 113.848 175.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.37 139.54 58.78 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.866 0.866 . . . . 0.0 110.562 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.62 154.13 42.14 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 117.881 0.31 . . . . 0.0 110.558 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 58.6 m -115.45 100.13 7.87 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.096 0.558 . . . . 0.0 109.818 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -99.24 127.77 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.949 0.899 . . . . 0.0 109.703 -177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.495 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 4.5 t70 -103.52 112.51 25.45 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.234 1.014 . . . . 0.0 109.769 172.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.11 -21.7 24.53 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 124.868 1.267 . . . . 0.0 113.001 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.648 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.7 t -91.6 -18.72 23.61 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 119.417 1.008 . . . . 0.0 113.065 -168.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.0 p 33.3 40.26 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -174.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 43.8 ttm -133.55 128.02 34.37 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -177.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 40.8 p -70.79 -65.01 0.79 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.534 0.734 . . . . 0.0 111.713 -175.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -177.431 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 ttm . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -155.1 175.42 13.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.613 0.765 . . . . 0.0 110.466 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -162.23 -179.87 7.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.204 0.526 . . . . 0.0 112.131 -172.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.421 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 89.3 m-85 -99.34 120.49 39.66 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.643 1.177 . . . . 0.0 110.486 176.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -94.77 107.87 19.88 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.325 0.65 . . . . 0.0 110.291 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 43.6 mt -99.29 123.67 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.526 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.6 p90 -155.02 -177.41 6.51 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 120.791 0.329 . . . . 0.0 110.406 173.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -115.06 145.7 42.04 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 172.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 15.6 t70 -79.13 162.53 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -48.77 -35.15 13.64 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.973 1.309 . . . . 0.0 111.765 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.7 7.16 3.24 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.005 0.922 . . . . 0.0 112.937 177.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.35 77.13 Favored Glycine 0 C--N 1.342 0.904 0 C-N-CA 124.258 0.932 . . . . 0.0 113.156 -176.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 46.7 mt-10 -93.76 95.51 9.19 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 116.817 0.309 . . . . 0.0 111.188 -168.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -54.66 133.77 46.9 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.125 0.488 . . . . 0.0 111.261 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -156.28 138.18 14.39 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 126.004 1.721 . . . . 0.0 108.822 -172.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -114.66 138.59 50.5 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.589 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 81.8 mtp180 -118.21 161.9 19.13 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.931 0.893 . . . . 0.0 108.735 -176.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.625 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 14.2 t80 -124.31 132.27 53.55 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -99.38 -179.4 4.21 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.978 -172.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -134.56 157.31 46.88 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.094 1.358 . . . . 0.0 107.752 177.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.5 p -51.21 -26.89 7.68 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -91.19 13.12 17.97 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.015 0.926 . . . . 0.0 111.897 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.34 16.39 77.23 Favored Glycine 0 C--N 1.35 1.311 0 C-N-CA 123.322 0.487 . . . . 0.0 113.444 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 22.1 mm-40 -81.87 155.56 25.28 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.565 0.746 . . . . 0.0 109.902 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 m -117.95 147.85 42.76 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.625 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -124.01 -12.89 7.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.806 0.843 . . . . 0.0 111.814 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 6.6 p90 -159.51 160.72 34.92 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.95 0.881 . . . . 0.0 112.66 164.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.589 ' HA ' ' HG2' ' A' ' 17' ' ' ARG . 40.0 t -125.03 140.15 53.16 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 112.543 -2.117 . . . . 0.0 106.15 166.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.441 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 46.0 t -98.71 177.51 5.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.77 3.81 54.96 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 122.816 0.447 . . . . 0.0 110.131 168.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.57 -12.89 57.92 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 115.077 0.791 . . . . 0.0 115.077 170.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 t80 81.71 -57.31 0.25 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.863 1.665 . . . . 0.0 110.494 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -154.96 -56.02 0.1 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.048 0.539 . . . . 0.0 110.011 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -157.97 -172.17 3.81 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.152 0.981 . . . . 0.0 109.124 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.709 ' HD3' HG23 ' B' ' 58' ' ' THR . 22.5 pttp -71.51 -42.56 67.86 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 119.041 0.837 . . . . 0.0 111.886 -174.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.07 96.0 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.198 0.523 . . . . 0.0 110.606 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.453 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 8.2 m -66.33 -24.27 66.5 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.101 175.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.71 -40.82 65.88 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.151 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.4 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 3.0 mp -57.15 -49.8 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 118.728 0.694 . . . . 0.0 109.903 170.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -57.61 -39.49 77.01 Favored 'General case' 0 C--O 1.254 1.296 0 O-C-N 123.719 0.637 . . . . 0.0 111.171 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -62.73 -52.05 64.77 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.254 174.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.549 ' HA ' HG12 ' A' ' 45' ' ' ILE . 84.0 mt -60.25 -23.8 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 123.083 0.553 . . . . 0.0 111.745 178.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 54.7 mt-10 -65.94 -34.52 78.3 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 6.0 m -56.17 -40.33 73.73 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.608 0.568 . . . . 0.0 111.722 169.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.549 HG12 ' HA ' ' A' ' 42' ' ' ILE . 5.5 mm -66.88 -39.7 84.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 123.729 0.643 . . . . 0.0 109.667 -173.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.573 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 9.7 mmmm -63.4 -27.81 69.56 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.725 -176.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 43' ' ' GLU . 93.9 mtt180 -71.09 -54.15 12.14 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.058 -0.974 . . . . 0.0 113.316 -171.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -164.13 15.62 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.532 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.9 t -68.54 -33.25 73.77 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 121.76 -0.588 . . . . 0.0 112.038 -176.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.559 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -65.14 -15.58 62.56 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.85 -6.72 28.15 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.434 -0.648 . . . . 0.0 114.011 171.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.56 129.89 40.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.867 0.867 . . . . 0.0 112.491 -176.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.29 155.1 25.8 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.564 0.746 . . . . 0.0 111.727 -176.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.9 m -111.0 100.71 9.36 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.061 0.544 . . . . 0.0 110.391 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.4 t -100.17 124.83 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.89 0.876 . . . . 0.0 110.153 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.481 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.9 t70 -104.1 109.91 21.88 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.115 0.966 . . . . 0.0 110.113 174.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -86.82 -18.34 31.22 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.671 1.188 . . . . 0.0 112.524 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.615 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 14.0 t -91.81 20.16 5.88 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.224 0.535 . . . . 0.0 112.087 -172.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -20.8 63.86 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.681 0.392 . . . . 0.0 110.327 165.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.9 ttm -64.96 90.43 0.08 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.29 1.036 . . . . 0.0 109.021 171.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 m -71.22 -23.74 62.07 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.182 -171.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 170.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttm . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -69.47 169.02 13.31 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.524 0.678 . . . . 0.0 111.961 172.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.47 179.59 8.49 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.534 -169.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.457 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 76.3 m-85 -98.89 119.81 38.28 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.762 1.225 . . . . 0.0 110.562 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -94.39 108.02 19.95 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.22 0.608 . . . . 0.0 109.832 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.481 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 47.7 mt -99.41 124.23 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.615 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 30.2 p90 -155.27 -177.47 6.57 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 173.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -115.05 145.05 42.7 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 172.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.54 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 23.6 t70 -78.41 162.43 26.43 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.827 0.851 . . . . 0.0 108.812 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -47.98 -34.48 9.35 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.752 1.221 . . . . 0.0 112.872 177.023 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.502 ' N ' ' HD2' ' B' ' 10' ' ' LYS . . . -76.29 7.41 4.32 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.079 0.952 . . . . 0.0 112.601 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.06 19.66 76.97 Favored Glycine 0 C--N 1.343 0.923 0 C-N-CA 124.298 0.952 . . . . 0.0 113.324 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.54 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 39.8 mt-10 -94.27 95.76 9.14 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.769 0.284 . . . . 0.0 111.443 -169.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -55.36 131.18 45.1 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.491 0.494 . . . . 0.0 111.184 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -152.61 138.86 18.38 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 126.352 1.861 . . . . 0.0 108.222 -173.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -114.3 138.17 50.85 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 168.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.656 ' HE ' HG21 ' B' ' 25' ' ' THR . 82.8 mtp180 -116.32 161.81 18.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.372 1.069 . . . . 0.0 108.575 -177.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.619 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 13.4 t80 -124.1 132.48 53.66 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -99.37 -179.57 4.26 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.948 -172.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -134.09 157.36 46.35 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.072 1.349 . . . . 0.0 107.71 176.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 16.2 m -51.58 -26.57 8.97 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.614 1.166 . . . . 0.0 113.409 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.46 ' HB2' ' HG2' ' B' ' 24' ' ' GLU . 64.0 m-20 -91.15 12.88 18.63 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.058 0.943 . . . . 0.0 111.749 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.21 16.42 77.0 Favored Glycine 0 C--N 1.35 1.317 0 C-N-CA 123.56 0.6 . . . . 0.0 113.689 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 20.8 mm-40 -81.68 155.55 25.51 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.675 0.79 . . . . 0.0 109.307 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.656 HG21 ' HE ' ' B' ' 17' ' ' ARG . 22.4 m -117.69 148.03 42.37 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 171.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.619 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.5 ppp? -123.87 -12.65 7.52 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.699 0.8 . . . . 0.0 111.82 -177.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.509 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 6.8 p90 -159.96 160.74 33.77 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.858 0.837 . . . . 0.0 112.51 164.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' B' ' 17' ' ' ARG . 46.3 t -125.1 140.43 52.89 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 112.496 -2.138 . . . . 0.0 106.045 166.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' B' ' 27' ' ' PHE . 43.8 t -99.17 178.04 5.03 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -93.58 3.93 54.74 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.05 -13.39 54.65 Favored Glycine 0 C--N 1.363 2.054 0 N-CA-C 115.365 0.906 . . . . 0.0 115.365 170.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 34.1 t80 81.06 -56.66 0.29 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.007 1.723 . . . . 0.0 110.748 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -154.76 -55.89 0.1 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.071 0.548 . . . . 0.0 109.93 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.464 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -158.38 -172.29 3.81 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.995 0.918 . . . . 0.0 108.947 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -42.17 67.61 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 119.019 0.827 . . . . 0.0 111.865 -174.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.99 95.67 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.14 0.495 . . . . 0.0 110.589 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.464 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 16.5 m -66.72 -23.96 66.17 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.245 175.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.26 -40.49 64.56 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.028 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 mp -56.99 -48.9 80.89 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 CA-C-N 118.857 0.753 . . . . 0.0 110.092 170.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -59.41 -39.19 82.65 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.687 0.756 . . . . 0.0 110.637 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -62.79 -52.09 64.53 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.252 174.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.537 ' HA ' HG12 ' B' ' 45' ' ' ILE . 87.2 mt -60.05 -24.09 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.106 0.563 . . . . 0.0 111.604 177.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 44.8 mt-10 -65.95 -34.16 77.48 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 119.16 -0.447 . . . . 0.0 109.857 177.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 21.7 m -56.3 -40.47 74.37 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.643 0.59 . . . . 0.0 111.676 169.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.538 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.0 mm -66.48 -39.89 85.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.755 -174.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.1 mmmm -63.63 -27.73 69.43 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.398 -176.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 19.2 mmt180 -71.19 -54.17 11.92 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.58 -170.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -164.3 15.57 0.05 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -170.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.538 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 13.6 t -68.63 -33.3 73.78 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.552 -0.718 . . . . 0.0 112.121 -177.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -65.7 -15.25 62.62 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 172.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.37 -7.38 28.35 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-O 119.471 -0.627 . . . . 0.0 114.045 171.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.32 129.58 40.18 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.115 0.966 . . . . 0.0 112.427 -175.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.48 154.46 24.44 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.01 0.924 . . . . 0.0 111.8 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.6 m -111.07 100.38 9.07 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.199 0.6 . . . . 0.0 110.311 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 58.5 t -99.72 125.62 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.741 0.816 . . . . 0.0 110.286 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.451 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 8.8 t70 -104.88 110.39 22.74 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.529 0.731 . . . . 0.0 109.867 174.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.46 -19.49 29.51 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.579 1.152 . . . . 0.0 112.426 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.709 HG23 ' HD3' ' A' ' 35' ' ' LYS . 12.3 t -98.14 15.87 22.98 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.178 0.514 . . . . 0.0 111.139 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.2 p -78.8 -33.89 45.88 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 166.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 15.4 tpt -96.46 -59.32 1.85 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.184 0.994 . . . . 0.0 110.631 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 67.1 p -113.78 -157.88 0.64 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.188 0.995 . . . . 0.0 109.476 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.306 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 168.734 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.2 ttm . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -154.19 176.08 12.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.054 0.942 . . . . 0.0 110.455 175.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.539 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -159.96 176.66 11.61 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.797 -173.571 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -100.79 119.58 38.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.489 1.116 . . . . 0.0 109.346 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -94.93 112.91 24.59 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.411 HD11 HD12 ' A' ' 42' ' ' ILE . 51.7 mt -106.51 121.55 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.617 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 47.0 p90 -158.1 -175.85 5.58 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.4 0.619 . . . . 0.0 110.792 177.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -119.06 145.84 45.57 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 171.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -104.26 -179.03 3.83 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -177.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -35.45 1.78 Allowed 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 126.085 1.754 . . . . 0.0 114.815 -173.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.28 9.73 4.35 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.549 0.739 . . . . 0.0 112.115 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.41 24.53 63.83 Favored Glycine 0 C--N 1.357 1.717 0 C-N-CA 123.899 0.761 . . . . 0.0 112.047 -169.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -98.78 134.49 41.6 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -168.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.464 ' O ' ' HD3' ' A' ' 15' ' ' ARG . 57.1 m-85 -92.24 130.1 38.03 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -172.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' HD3' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -139.25 137.11 35.64 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.774 1.63 . . . . 0.0 108.511 -179.409 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -118.69 133.37 55.9 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 167.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -127.03 158.13 37.77 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.953 0.901 . . . . 0.0 108.982 -174.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.667 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 14.1 t80 -116.48 132.42 56.68 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -100.3 179.96 4.3 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.64 -1.163 . . . . 0.0 111.147 -171.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.41 160.08 36.14 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.434 1.094 . . . . 0.0 108.666 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.1 m -44.38 -37.2 3.22 Favored 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -102.76 16.15 27.31 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 122.655 0.382 . . . . 0.0 111.873 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.23 12.28 65.68 Favored Glycine 0 N--CA 1.472 1.072 0 N-CA-C 114.853 0.701 . . . . 0.0 114.853 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -76.91 157.91 31.06 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.989 0.516 . . . . 0.0 110.512 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.9 m -120.27 139.41 52.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.155 0.582 . . . . 0.0 109.441 174.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.667 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.8 ppp? -115.84 -24.78 8.02 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.779 0.832 . . . . 0.0 111.722 -174.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.434 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 3.1 p90 -147.12 154.62 41.34 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.5 0.667 . . . . 0.0 111.241 168.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.5 t -127.08 135.03 50.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 166.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 35.8 t -93.48 -175.72 3.88 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -87.94 -4.68 58.8 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 171.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.45 -18.25 55.26 Favored Glycine 0 C--N 1.356 1.669 0 C-N-CA 123.532 0.587 . . . . 0.0 113.473 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.2 t80 81.81 -51.19 0.24 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.218 1.807 . . . . 0.0 110.925 174.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -162.2 -53.97 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.859 0.864 . . . . 0.0 109.489 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.1 -171.67 3.14 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.15 0.98 . . . . 0.0 108.462 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.37 -40.05 74.22 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 118.736 0.698 . . . . 0.0 112.242 -173.682 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.438 ' N ' ' HD3' ' A' ' 35' ' ' LYS . . . -60.76 -42.93 98.4 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 118.135 0.425 . . . . 0.0 110.942 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -67.95 -25.98 65.72 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.088 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.3 -47.06 52.82 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 123.741 0.65 . . . . 0.0 110.875 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.426 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.1 mp -53.51 -53.27 25.98 Favored 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 123.17 0.588 . . . . 0.0 110.52 171.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -61.21 -36.27 79.45 Favored 'General case' 0 C--O 1.255 1.394 0 O-C-N 123.662 0.601 . . . . 0.0 111.764 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -61.1 -54.15 48.14 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 174.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.45 ' HA ' HG12 ' A' ' 45' ' ' ILE . 94.3 mt -60.08 -22.0 23.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 123.143 0.577 . . . . 0.0 112.069 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 44.7 mt-10 -71.12 -27.42 63.56 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 122.111 -0.368 . . . . 0.0 110.049 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 39.1 m -55.92 -41.69 74.95 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 123.727 0.642 . . . . 0.0 112.028 165.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.45 HG12 ' HA ' ' A' ' 42' ' ' ILE . 4.3 mm -68.9 -40.08 80.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -173.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.4 mmmm -64.51 -18.68 65.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.073 0.949 . . . . 0.0 113.255 -176.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 28.0 mmt180 -70.49 -69.83 0.34 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 124.036 0.835 . . . . 0.0 111.709 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -154.96 16.28 0.42 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.536 0.734 . . . . 0.0 110.502 -170.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.431 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.7 t -64.78 -31.86 73.28 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.535 -0.728 . . . . 0.0 112.655 -174.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.84 -25.72 68.29 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.783 0.433 . . . . 0.0 111.781 172.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.41 4.82 33.18 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.835 -0.425 . . . . 0.0 113.603 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.6 174.82 0.7 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.691 0.796 . . . . 0.0 112.091 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.599 ' HB2' ' HB3' ' B' ' 3' ' ' LYS . 10.1 m-20 -100.63 153.94 19.0 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.9 m -115.86 108.03 15.78 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.099 0.56 . . . . 0.0 109.697 175.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -109.12 127.74 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.245 1.018 . . . . 0.0 109.731 -177.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -107.29 110.03 21.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.314 0.646 . . . . 0.0 109.562 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.485 ' HB2' ' HB3' ' B' ' 7' ' ' TYR . 2.6 mm? -83.16 -19.4 36.69 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.563 1.145 . . . . 0.0 111.985 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.519 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.5 t -88.38 25.07 1.74 Allowed 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -172.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 p -133.9 -42.39 0.82 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.805 1.242 . . . . 0.0 108.564 166.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 59.0 mtt -70.39 -69.92 0.33 Allowed 'General case' 0 C--N 1.356 0.852 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.847 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.4 p -144.67 109.11 4.86 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.548 0.739 . . . . 0.0 109.869 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 C-N-CA 125.382 1.473 . . . . 0.0 108.127 179.663 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.4 ttt . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -76.5 177.9 7.05 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.519 0.728 . . . . 0.0 112.552 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.599 ' HB3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -164.17 177.01 8.71 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.541 -171.36 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -100.71 119.6 38.84 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.466 1.107 . . . . 0.0 109.32 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -95.11 112.44 24.14 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mt -106.16 121.0 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.519 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 27.3 p90 -158.24 -175.97 5.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.45 0.643 . . . . 0.0 111.546 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -118.66 146.88 44.34 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 172.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -106.3 179.65 4.21 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -43.64 -35.39 1.76 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.086 1.754 . . . . 0.0 114.844 -172.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.27 10.18 3.92 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.437 0.695 . . . . 0.0 112.104 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.55 24.68 64.3 Favored Glycine 0 C--N 1.356 1.663 0 C-N-CA 123.79 0.71 . . . . 0.0 112.061 -169.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -99.09 133.35 43.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.352 0.661 . . . . 0.0 109.502 -168.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -91.84 130.0 37.69 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -172.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.87 137.33 34.81 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.495 1.518 . . . . 0.0 108.816 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -118.49 133.12 56.12 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 167.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.27 158.25 37.69 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.992 0.917 . . . . 0.0 110.028 -175.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.644 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 15.8 t80 -116.4 132.09 56.77 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -100.5 179.51 4.42 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.062 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.76 159.33 37.61 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.592 1.157 . . . . 0.0 108.899 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 37.2 m -43.81 -37.01 2.54 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -102.9 16.26 27.11 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 118.184 0.447 . . . . 0.0 111.684 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.45 11.75 65.98 Favored Glycine 0 N--CA 1.474 1.218 0 N-CA-C 114.541 0.576 . . . . 0.0 114.541 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -76.24 158.23 31.81 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 117.166 0.483 . . . . 0.0 110.429 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -120.48 139.21 53.21 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.644 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.8 ppp? -115.76 -24.67 8.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.921 0.888 . . . . 0.0 111.779 -174.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.439 ' HD1' ' SD ' ' B' ' 26' ' ' MET . 3.2 p90 -147.18 154.45 41.08 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.373 0.606 . . . . 0.0 111.191 167.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.5 t -126.45 135.59 51.57 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 166.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 32.6 t -93.62 -175.66 3.84 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -177.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -88.67 -4.16 58.61 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 171.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.4 -17.76 56.49 Favored Glycine 0 C--N 1.359 1.854 0 CA-C-O 119.562 -0.577 . . . . 0.0 113.359 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 11.0 t80 81.34 -51.19 0.28 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 126.25 1.82 . . . . 0.0 110.704 174.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -162.43 -53.67 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.792 0.837 . . . . 0.0 109.514 173.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.66 -171.66 3.02 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' B' ' 36' ' ' ALA . 0.1 OUTLIER -70.54 -39.84 73.76 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 118.64 0.654 . . . . 0.0 112.127 -173.302 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.456 ' N ' ' HD3' ' B' ' 35' ' ' LYS . . . -60.55 -43.21 97.49 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 118.251 0.478 . . . . 0.0 110.968 177.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 49.4 m -68.04 -25.7 65.5 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.239 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.31 -47.07 52.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.186 0.595 . . . . 0.0 110.903 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -53.89 -52.72 33.09 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 C-N-CA 123.078 0.551 . . . . 0.0 110.378 172.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -61.37 -36.32 79.89 Favored 'General case' 0 C--O 1.257 1.448 0 C-N-CA 123.319 0.648 . . . . 0.0 111.743 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -61.17 -54.21 47.3 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 174.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.431 ' HA ' HG12 ' B' ' 45' ' ' ILE . 96.9 mt -59.86 -22.8 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.387 0.675 . . . . 0.0 112.046 178.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.461 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 43.2 mt-10 -69.85 -28.12 65.41 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 25.0 m -56.16 -41.39 75.38 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.726 0.641 . . . . 0.0 111.803 165.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.431 HG12 ' HA ' ' B' ' 42' ' ' ILE . 4.8 mm -69.14 -39.61 79.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.9 mmmm -65.64 -18.45 65.34 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.757 -176.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 51.6 mmt-85 -69.29 -71.49 0.22 Allowed 'General case' 0 N--CA 1.478 0.933 0 O-C-N 124.039 0.837 . . . . 0.0 111.532 -176.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -153.86 16.46 0.5 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.523 0.729 . . . . 0.0 110.784 -170.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.429 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.7 t -65.55 -31.31 72.29 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.08 -25.6 68.18 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 122.691 0.396 . . . . 0.0 111.674 172.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.57 5.13 32.95 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-O 119.525 -0.597 . . . . 0.0 113.638 174.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.21 175.03 0.59 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.673 0.789 . . . . 0.0 112.084 172.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 32.4 t70 -101.59 153.86 19.37 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.9 m -115.85 108.18 15.97 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 40.7 t -108.72 127.76 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.445 1.098 . . . . 0.0 109.704 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.9 t70 -107.14 110.23 22.27 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.544 0.738 . . . . 0.0 109.549 173.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.495 ' HB2' ' HB3' ' A' ' 7' ' ' TYR . 2.5 mm? -83.79 -21.42 32.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.674 1.19 . . . . 0.0 112.487 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.617 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 12.8 t -86.66 8.43 22.41 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.869 0.758 . . . . 0.0 111.686 -169.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p -83.3 -32.92 26.08 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 169.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 44.4 ttp -89.12 95.66 10.4 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 166.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 42.1 p -66.26 108.14 2.21 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.354 0.597 . . . . 0.0 110.337 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.196 0 C-N-CA 124.274 1.03 . . . . 0.0 110.146 -169.687 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -74.18 154.23 39.16 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.346 0.594 . . . . 0.0 111.203 170.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.27 176.67 9.69 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.511 -167.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -100.93 115.41 30.37 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.652 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -93.25 112.84 24.89 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.468 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 50.4 mt -101.01 109.59 25.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.678 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 32.9 p90 -132.79 -179.54 5.53 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 4.2 pt20 -123.29 143.78 49.85 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 163.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.19 159.32 27.43 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.12 0.968 . . . . 0.0 108.661 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.43 -33.04 3.64 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 125.674 1.59 . . . . 0.0 113.091 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.39 9.46 2.63 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.38 1.072 . . . . 0.0 112.256 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.72 26.54 74.44 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 124.041 0.829 . . . . 0.0 112.875 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 56.8 mt-10 -105.1 102.78 12.26 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.078 0.551 . . . . 0.0 109.711 -172.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.457 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 67.9 m-85 -54.12 128.94 32.9 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.99 0.424 . . . . 0.0 112.044 174.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.497 ' NH1' ' HA ' ' A' ' 30' ' ' GLU . 15.9 mmt180 -137.56 138.41 39.57 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.833 1.653 . . . . 0.0 108.388 -176.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -123.74 131.72 53.66 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 170.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -114.93 169.06 9.37 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.484 0.714 . . . . 0.0 110.044 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.579 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.2 t80 -123.98 133.61 53.65 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 171.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -101.91 -177.56 3.45 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.519 -1.219 . . . . 0.0 111.215 -172.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -132.17 159.92 37.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.979 1.312 . . . . 0.0 108.044 174.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.6 p -48.97 -31.98 8.36 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.429 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 86.3 m-20 -86.81 10.88 14.62 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.682 0.793 . . . . 0.0 112.381 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.91 12.55 83.87 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-O 119.89 -0.394 . . . . 0.0 113.086 -175.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.562 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 33.1 mm-40 -75.91 157.33 33.35 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.57 0.748 . . . . 0.0 110.056 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 m -119.21 150.65 39.71 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.579 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 2.1 ppp? -128.51 -29.82 2.39 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.457 0.703 . . . . 0.0 111.781 -176.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.433 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 4.4 p90 -141.34 154.55 45.74 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.558 0.617 . . . . 0.0 111.029 167.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.5 t -130.67 134.51 47.0 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 105.712 -1.958 . . . . 0.0 105.712 165.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.438 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 35.1 t -95.11 176.57 6.18 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.241 0.617 . . . . 0.0 109.637 -173.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.497 ' HA ' ' NH1' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -89.84 0.95 56.73 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.695 0.798 . . . . 0.0 110.884 171.145 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 88.24 -11.07 68.74 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-O 119.727 -0.485 . . . . 0.0 113.996 173.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 t80 78.38 -58.17 0.45 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.775 1.63 . . . . 0.0 111.458 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -158.85 -59.18 0.07 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.428 0.691 . . . . 0.0 110.148 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -151.48 -172.44 4.21 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.193 0.997 . . . . 0.0 108.482 -175.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.757 ' HD3' ' HA ' ' B' ' 61' ' ' THR . 76.1 tttt -69.59 -47.96 61.76 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 118.918 0.781 . . . . 0.0 111.238 -177.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.6 -41.87 77.75 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 121.346 0.593 . . . . 0.0 110.54 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.446 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.1 m -68.1 -29.23 68.11 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.056 176.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.18 64.23 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 123.596 0.758 . . . . 0.0 110.688 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.419 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.3 mp -55.64 -51.46 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.004 0.522 . . . . 0.0 110.718 172.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -59.44 -36.84 76.7 Favored 'General case' 0 C--O 1.256 1.395 0 C-N-CA 123.231 0.612 . . . . 0.0 111.443 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.452 ' HB1' ' HE2' ' B' ' 26' ' ' MET . . . -60.38 -55.9 27.92 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.352 172.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.91 -27.11 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.401 0.68 . . . . 0.0 111.623 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 45.8 mt-10 -65.1 -30.8 71.77 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 119.353 -0.356 . . . . 0.0 110.674 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 19.7 m -54.22 -41.19 68.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 123.593 0.558 . . . . 0.0 111.678 168.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.512 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.2 mm -69.37 -43.65 80.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.514 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 9.2 mmmm -60.95 -25.24 66.67 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.247 1.019 . . . . 0.0 112.816 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 12.5 mmm180 -61.57 -67.14 0.44 Allowed 'General case' 0 N--CA 1.48 1.053 0 O-C-N 124.307 1.004 . . . . 0.0 111.174 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -165.0 17.79 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.557 0.343 . . . . 0.0 111.22 -168.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.512 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.9 t -63.48 -31.98 73.3 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -172.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.36 -30.77 69.77 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.163 0.585 . . . . 0.0 111.554 172.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.5 0.56 46.28 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-O 119.239 -0.756 . . . . 0.0 113.732 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.13 163.06 10.67 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 117.675 0.738 . . . . 0.0 111.326 174.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -86.76 158.73 19.33 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 122.177 -0.327 . . . . 0.0 110.145 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.8 m -119.74 103.48 9.41 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.365 0.666 . . . . 0.0 109.759 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 t -98.62 133.38 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.087 0.955 . . . . 0.0 110.131 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.529 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 7.7 p-10 -102.98 105.65 16.02 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.012 0.925 . . . . 0.0 110.17 173.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.98 -32.28 39.81 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.295 1.038 . . . . 0.0 111.915 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.623 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.0 t -87.36 -12.42 46.43 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.788 0.435 . . . . 0.0 111.889 -167.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.412 HG23 HG23 ' A' ' 58' ' ' THR . 12.0 p -128.43 19.96 6.25 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.548 0.739 . . . . 0.0 109.819 -171.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 45.5 tpp -136.36 -68.12 0.5 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.8 p -99.96 113.33 25.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.288 0.635 . . . . 0.0 109.538 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.849 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -177.226 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ttt . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -79.95 146.12 32.24 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.49 0.662 . . . . 0.0 110.111 170.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.68 176.87 10.5 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.735 -163.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -100.55 115.22 29.62 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.265 1.026 . . . . 0.0 109.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -93.44 112.69 24.66 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.529 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 47.3 mt -101.13 109.41 25.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.623 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 31.0 p90 -132.19 -178.87 5.1 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' B' ' 14' ' ' TYR . 4.2 pt20 -123.33 143.44 50.09 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 163.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -78.61 158.97 28.31 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.464 1.106 . . . . 0.0 108.727 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -46.07 -32.77 3.05 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.596 1.558 . . . . 0.0 113.265 177.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.416 ' N ' ' HD3' ' B' ' 10' ' ' LYS . . . -76.66 9.24 2.91 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 124.58 1.152 . . . . 0.0 112.371 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.67 26.51 74.43 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 123.893 0.759 . . . . 0.0 112.839 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.431 ' HB3' ' NH1' ' B' ' 15' ' ' ARG . 40.8 mt-10 -104.72 103.57 13.22 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 119.133 -0.46 . . . . 0.0 109.965 -173.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.441 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 79.7 m-85 -54.49 128.82 33.64 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 121.102 0.477 . . . . 0.0 111.806 174.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' B' ' 29' ' ' SER . 1.9 mpt_? -136.78 138.71 41.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.236 1.815 . . . . 0.0 108.413 -176.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -124.06 131.22 53.53 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 169.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.513 ' HD2' HG21 ' B' ' 25' ' ' THR . 28.4 mtm180 -113.37 169.08 9.21 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.931 0.892 . . . . 0.0 109.731 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.614 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 15.9 t80 -124.67 133.75 53.11 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 169.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -102.22 -177.72 3.49 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 114.519 -1.218 . . . . 0.0 111.271 -171.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -132.07 159.63 38.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.751 1.22 . . . . 0.0 108.119 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -48.55 -32.13 7.55 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.535 1.134 . . . . 0.0 113.757 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -86.3 10.31 15.22 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.791 0.836 . . . . 0.0 112.487 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.15 12.61 83.98 Favored Glycine 0 C--N 1.346 1.106 0 C-N-CA 123.031 0.348 . . . . 0.0 113.22 -175.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.567 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 30.5 mm-40 -76.35 156.65 33.11 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.724 0.81 . . . . 0.0 110.214 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.513 HG21 ' HD2' ' B' ' 17' ' ' ARG . 8.3 m -118.91 150.8 39.28 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.614 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 2.1 ppp? -128.66 -30.1 2.33 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.484 0.714 . . . . 0.0 111.867 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.432 ' N ' ' SD ' ' B' ' 26' ' ' MET . 3.8 p90 -141.06 154.22 45.85 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.435 0.636 . . . . 0.0 110.997 167.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.9 t -129.62 134.63 47.8 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 165.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.457 ' O ' ' HG3' ' B' ' 15' ' ' ARG . 40.3 t -95.78 177.48 5.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -173.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -91.48 1.89 56.81 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.226 0.61 . . . . 0.0 109.968 172.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 87.33 -10.87 67.4 Favored Glycine 0 C--N 1.352 1.461 0 C-N-CA 123.393 0.52 . . . . 0.0 114.285 174.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 26.7 t80 78.38 -57.99 0.45 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.843 1.657 . . . . 0.0 111.43 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -158.63 -59.3 0.07 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.29 0.636 . . . . 0.0 110.229 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.442 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -151.48 -172.03 4.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.218 1.007 . . . . 0.0 108.612 -175.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -46.87 64.1 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-N 118.93 0.786 . . . . 0.0 111.2 -177.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.57 -42.0 82.18 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.333 0.587 . . . . 0.0 110.516 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.442 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 8.2 m -67.85 -29.28 68.37 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.218 176.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.36 -46.32 64.33 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 123.631 0.772 . . . . 0.0 110.544 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.69 -51.46 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.175 0.59 . . . . 0.0 110.68 172.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -60.09 -36.29 77.06 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.691 0.62 . . . . 0.0 110.852 -178.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.464 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -60.78 -55.5 32.36 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 173.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 80.6 mt -57.11 -26.98 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.354 0.662 . . . . 0.0 111.691 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.524 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 45.0 mt-10 -65.13 -31.37 72.54 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 119.372 -0.347 . . . . 0.0 110.273 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 33.5 m -53.94 -41.19 67.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 123.61 0.569 . . . . 0.0 111.39 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.515 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.2 mm -69.42 -43.31 80.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -174.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.524 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 9.0 mmmm -61.51 -25.15 67.09 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.25 1.02 . . . . 0.0 112.685 -176.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 62.7 mmt-85 -61.38 -67.08 0.44 Allowed 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.296 0.998 . . . . 0.0 111.075 -177.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -165.13 17.94 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.539 0.336 . . . . 0.0 111.314 -168.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.515 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 22.6 t -63.97 -31.62 72.86 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -173.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.18 -29.72 69.97 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.897 0.479 . . . . 0.0 111.434 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.6 -0.31 46.29 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-O 119.436 -0.647 . . . . 0.0 113.481 177.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.68 163.09 9.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.465 0.706 . . . . 0.0 111.252 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -87.3 159.06 18.91 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 38.5 m -120.2 103.16 9.02 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.274 0.63 . . . . 0.0 109.69 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 57.6 t -97.99 132.92 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.245 1.018 . . . . 0.0 110.325 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.468 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 4.8 t70 -102.2 108.13 19.42 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.774 0.829 . . . . 0.0 109.81 172.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.45 -32.22 29.07 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.044 0.938 . . . . 0.0 112.369 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.678 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.3 t -81.95 -2.77 52.52 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -165.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p 50.45 -66.58 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 126.091 1.756 . . . . 0.0 114.887 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 47.3 ttm -47.61 125.2 8.09 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.931 1.292 . . . . 0.0 111.957 174.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.757 ' HA ' ' HD3' ' A' ' 35' ' ' LYS . 51.0 p -82.78 151.23 26.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.078 0.951 . . . . 0.0 111.025 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.582 ' HB3' ' H ' ' A' ' 35' ' ' LYS . . . . . . . . 0 C--O 1.247 0.967 0 C-N-CA 123.691 0.796 . . . . 0.0 109.013 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttm . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -68.05 163.55 22.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.026 0.53 . . . . 0.0 111.155 167.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' HE2' ' HG2' ' A' ' 5' ' ' GLU . 0.6 OUTLIER -165.2 -179.55 5.69 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.194 -170.077 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.44 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 96.7 m-85 -100.32 114.94 28.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.364 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' HG2' ' HE2' ' A' ' 3' ' ' LYS . 37.0 mt-10 -94.35 109.77 21.58 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.533 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 30.7 mt -94.25 113.16 28.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.331 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -175.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.712 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 22.1 p90 -136.5 161.23 36.44 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -102.06 145.85 28.74 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.446 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 28.3 t70 -78.8 160.7 27.25 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -47.53 -34.53 7.7 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.392 1.477 . . . . 0.0 112.101 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.77 9.03 1.61 Allowed 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.371 1.068 . . . . 0.0 113.022 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.27 29.37 73.19 Favored Glycine 0 C--N 1.351 1.386 0 C-N-CA 124.214 0.912 . . . . 0.0 113.14 -175.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.446 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 53.7 mt-10 -95.07 93.26 7.26 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -57.44 120.63 8.56 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 121.681 0.753 . . . . 0.0 111.961 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -136.05 171.59 14.24 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.008 1.723 . . . . 0.0 109.943 -167.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -143.15 141.65 31.24 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 114.558 -1.201 . . . . 0.0 107.861 165.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' HG2' ' HB2' ' A' ' 5' ' ' GLU . 12.2 ptm180 -117.55 148.14 42.15 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.647 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 12.3 t80 -109.79 130.42 55.52 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -98.87 -178.2 3.88 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.698 -173.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.6 161.93 33.31 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.133 0.973 . . . . 0.0 109.18 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.9 p -54.24 -30.11 49.11 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.12 0.968 . . . . 0.0 113.506 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -83.96 -15.58 47.3 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.437 0.695 . . . . 0.0 111.431 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.36 50.98 3.25 Favored Glycine 0 C--N 1.343 0.939 0 C-N-CA 122.801 0.239 . . . . 0.0 112.7 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -128.0 129.55 46.91 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.8 m -85.84 129.23 34.89 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.647 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.4 ppp? -105.12 -16.86 14.67 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.568 -175.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.613 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 9.9 p90 -157.11 164.72 37.56 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 121.92 0.867 . . . . 0.0 111.15 162.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.5 t -137.28 147.38 45.64 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 112.95 -1.932 . . . . 0.0 107.111 165.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.2 m -78.36 161.04 27.47 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -176.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -33.44 74.95 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.706 0.803 . . . . 0.0 111.046 173.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' HA3' ' HB3' ' A' ' 13' ' ' GLU . . . 114.82 51.35 0.45 Allowed Glycine 0 C--N 1.337 0.603 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.712 -171.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -16.84 -65.8 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -163.56 -66.74 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.955 0.407 . . . . 0.0 111.277 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -149.59 176.37 10.7 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.651 0.78 . . . . 0.0 109.31 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -65.12 -49.58 69.4 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.147 0.579 . . . . 0.0 109.851 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.02 71.36 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.325 0.65 . . . . 0.0 110.999 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.43 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 36.3 m -69.17 -29.74 67.8 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.8 177.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.64 -48.21 64.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.155 0.582 . . . . 0.0 110.582 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.416 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 mp -58.56 -47.08 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 122.925 0.49 . . . . 0.0 110.669 173.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -55.38 -40.03 70.87 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.565 0.746 . . . . 0.0 111.457 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -62.33 -52.02 65.3 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.935 174.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.424 ' HA ' HG12 ' A' ' 45' ' ' ILE . 61.8 mt -58.76 -28.12 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 122.594 0.358 . . . . 0.0 111.754 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 47.6 mt-10 -66.12 -33.57 76.07 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 9.3 m -56.83 -39.15 73.7 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.904 0.753 . . . . 0.0 111.693 170.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.533 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.9 mm -67.51 -41.47 85.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -176.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.0 mmmm -64.8 -24.9 67.69 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.858 -176.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 22.0 mmt180 -64.08 -54.26 36.87 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.876 -175.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -173.0 17.43 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -170.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.533 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 20.1 t -65.18 -31.86 73.25 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.62 -0.675 . . . . 0.0 112.802 -175.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -66.19 -19.38 65.81 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 172.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.83 -4.4 34.02 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.217 0.436 . . . . 0.0 113.367 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.92 139.66 56.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.884 0.873 . . . . 0.0 111.083 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -70.61 160.71 32.04 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 122.803 0.441 . . . . 0.0 111.199 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.8 m -117.63 100.12 7.42 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.187 0.595 . . . . 0.0 110.438 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.11 122.54 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.757 1.223 . . . . 0.0 109.78 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.489 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.4 t0 -100.31 112.39 24.73 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.699 0.285 . . . . 0.0 110.965 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' B' ' 5' ' ' GLU . 26.5 mt -81.11 -32.84 33.64 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.998 0.919 . . . . 0.0 111.961 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.605 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 14.6 t -89.01 -3.54 58.69 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 122.718 0.407 . . . . 0.0 111.183 -166.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.9 m -90.02 94.92 9.98 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 58.2 tpp -137.67 160.08 40.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.648 1.179 . . . . 0.0 108.801 -174.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.7 p -58.74 -48.71 80.25 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.399 0.68 . . . . 0.0 111.237 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 174.594 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ttt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -65.19 158.1 27.0 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 121.071 0.462 . . . . 0.0 111.749 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.82 179.51 7.04 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.472 -165.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.501 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 86.2 m-85 -100.21 114.59 28.14 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.671 1.188 . . . . 0.0 109.412 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 57' ' ' LEU . 34.3 mt-10 -94.6 109.24 21.17 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 34.7 mt -93.81 113.2 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 -175.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.605 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 31.2 p90 -137.11 161.83 35.04 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -104.14 143.9 32.3 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 171.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.563 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 31.1 t70 -77.38 160.38 28.81 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 173.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -34.03 4.73 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.465 1.506 . . . . 0.0 112.647 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.8 9.77 2.16 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.511 1.124 . . . . 0.0 112.705 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.07 29.98 73.73 Favored Glycine 0 C--N 1.347 1.14 0 C-N-CA 124.04 0.828 . . . . 0.0 113.088 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.563 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 67.5 mm-40 -95.05 93.78 7.58 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.72 0.408 . . . . 0.0 110.143 -175.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -58.81 120.07 8.33 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.754 0.788 . . . . 0.0 112.002 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -135.11 171.44 14.43 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.254 1.821 . . . . 0.0 109.932 -167.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -143.38 141.35 30.87 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 114.518 -1.219 . . . . 0.0 107.715 165.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -117.65 149.54 40.53 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.655 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 12.3 t80 -110.61 130.37 55.58 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -99.36 -178.19 3.83 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.523 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.1 162.17 32.84 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.217 1.007 . . . . 0.0 108.871 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 46.3 m -55.05 -29.38 57.37 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -84.69 -15.1 46.44 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.177 0.591 . . . . 0.0 111.811 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.67 50.14 3.42 Favored Glycine 0 C--N 1.341 0.861 0 C-N-CA 123.126 0.393 . . . . 0.0 112.378 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -126.13 129.72 49.62 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 27.0 m -85.54 128.04 34.63 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.449 0.699 . . . . 0.0 109.698 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.655 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.5 ppp? -104.54 -16.54 15.01 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.688 -174.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.608 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 10.7 p90 -157.43 164.54 37.36 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 121.863 0.839 . . . . 0.0 110.953 162.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -136.47 146.45 46.32 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 112.966 -1.925 . . . . 0.0 106.972 165.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -77.38 161.28 28.14 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.88 -33.41 75.24 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 173.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.56 63.42 0.34 Allowed Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.9 -169.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -47.36 -53.79 12.89 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.884 1.274 . . . . 0.0 112.525 -159.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -163.61 -67.31 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.833 0.349 . . . . 0.0 111.377 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -148.63 176.93 9.93 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.649 0.78 . . . . 0.0 109.292 -174.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -64.55 -49.83 69.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.392 0.677 . . . . 0.0 109.786 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.22 -41.93 72.69 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.42 0.688 . . . . 0.0 110.684 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 13.4 m -69.48 -29.27 66.89 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.786 0.834 . . . . 0.0 111.458 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -48.23 61.51 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.238 0.615 . . . . 0.0 110.438 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 mp -58.07 -46.79 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.124 0.57 . . . . 0.0 110.822 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -57.05 -38.97 73.97 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.438 0.695 . . . . 0.0 111.235 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -62.58 -51.92 65.44 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.79 174.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.401 ' HA ' HG12 ' B' ' 45' ' ' ILE . 66.6 mt -58.94 -28.36 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 122.65 0.38 . . . . 0.0 111.602 177.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 43.7 mt-10 -66.12 -33.2 75.25 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.319 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.448 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 18.6 m -57.25 -38.84 74.43 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.821 0.701 . . . . 0.0 111.612 170.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.519 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.0 mm -67.69 -41.21 85.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -176.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.9 mmmm -65.84 -24.39 66.88 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.772 -176.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 28.1 mmt85 -63.4 -55.19 26.37 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.126 -176.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -172.05 17.51 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -170.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.519 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 18.2 t -65.18 -31.6 72.86 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.504 -0.747 . . . . 0.0 112.675 -175.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -66.16 -19.58 65.88 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.8 -4.57 34.04 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-O 119.853 -0.415 . . . . 0.0 113.637 172.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 139.08 57.05 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.809 0.844 . . . . 0.0 111.218 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -69.8 160.86 30.96 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 122.636 0.374 . . . . 0.0 111.529 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.413 HG23 HD13 ' A' ' 42' ' ' ILE . 32.4 m -117.85 100.36 7.53 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.209 0.604 . . . . 0.0 110.12 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 80.1 t -101.66 122.55 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.644 1.178 . . . . 0.0 109.756 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.533 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 10.2 t70 -100.44 112.4 24.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.566 0.346 . . . . 0.0 110.79 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.437 ' HB3' ' HB2' ' B' ' 62' ' ' ALA . 5.8 mp -82.59 -35.32 27.18 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.407 1.083 . . . . 0.0 112.078 177.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.712 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.1 t -77.53 -13.33 59.94 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -161.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 66.1 p -114.28 -0.73 13.78 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 118.154 0.433 . . . . 0.0 110.821 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 91.9 mtp -105.2 -79.83 0.55 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 173.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 6.7 m -153.66 140.24 18.85 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' B' ' 57' ' ' LEU . . . . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 124.956 1.302 . . . . 0.0 107.523 -177.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttm . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.34 157.39 19.92 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.445 0.64 . . . . 0.0 111.887 171.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -159.9 177.01 11.23 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.951 -167.725 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 97.5 m-85 -103.54 114.36 28.57 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.2 1.0 . . . . 0.0 109.893 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -95.45 110.11 22.2 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -98.29 130.56 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.626 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 44.9 p90 -144.87 178.48 7.99 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.967 0.507 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -121.07 146.84 46.31 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 167.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.551 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.1 t70 -101.41 -176.35 3.12 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -42.32 -37.69 1.6 Allowed 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 126.789 2.036 . . . . 0.0 114.569 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.644 ' HB3' ' HG3' ' A' ' 13' ' ' GLU . . . -98.68 18.93 15.68 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.93 0.892 . . . . 0.0 110.744 -174.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.27 30.57 76.98 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.728 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.644 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 37.3 mt-10 -80.86 91.71 6.01 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.996 0.518 . . . . 0.0 109.985 -172.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -55.08 106.9 0.25 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 122.779 1.276 . . . . 0.0 112.166 172.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.551 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 77.0 mtt180 -127.09 174.76 8.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 111.87 -2.423 . . . . 0.0 108.548 -175.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -163.18 166.53 23.23 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.093 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 9.2 ptp180 -144.0 171.2 14.59 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.334 1.021 . . . . 0.0 111.344 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -126.6 135.25 50.98 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -98.16 -178.27 4.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.725 -175.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.521 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . . . -135.05 162.03 33.63 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.376 174.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.7 m -47.67 -30.48 3.8 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.977 1.311 . . . . 0.0 114.454 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -85.41 3.68 38.92 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.608 0.763 . . . . 0.0 112.456 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.17 30.07 67.89 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 122.819 0.247 . . . . 0.0 112.775 -172.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.521 ' HG3' ' HB3' ' A' ' 20' ' ' ALA . 10.2 pt-20 -106.22 143.43 34.35 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.739 0.815 . . . . 0.0 109.106 177.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 m -98.92 140.93 32.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.188 0.595 . . . . 0.0 109.716 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.443 ' SD ' ' CD1' ' A' ' 27' ' ' PHE . 2.0 ppp? -113.83 -22.29 10.24 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.976 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.443 ' CD1' ' SD ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -158.89 163.92 36.15 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 162.246 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 t -168.69 173.55 7.21 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 125.186 1.554 . . . . 0.0 110.224 -173.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m 60.0 62.27 1.69 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 162.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.71 -57.45 3.85 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 163.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.66 56.5 3.11 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -169.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -72.2 -60.65 2.13 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.292 0.637 . . . . 0.0 110.074 -165.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -170.09 -72.96 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.08 0.552 . . . . 0.0 111.1 175.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.6 173.09 12.03 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.874 0.87 . . . . 0.0 109.052 -172.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -64.51 -47.17 79.87 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.919 0.487 . . . . 0.0 110.411 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.74 87.65 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.685 0.394 . . . . 0.0 110.38 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 m -67.68 -31.0 70.67 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.936 0.894 . . . . 0.0 110.165 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.44 -49.54 63.24 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.09 0.956 . . . . 0.0 110.294 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.2 -45.68 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.346 0.658 . . . . 0.0 111.099 175.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -60.27 -40.2 89.52 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.295 0.569 . . . . 0.0 111.025 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.455 ' O ' ' HE3' ' B' ' 26' ' ' MET . . . -57.13 -54.24 49.01 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.736 172.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.63 -27.76 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.891 0.876 . . . . 0.0 112.119 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.488 ' HA ' ' HG2' ' A' ' 46' ' ' LYS . 45.6 mt-10 -62.59 -30.58 71.44 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.608 0.363 . . . . 0.0 110.936 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.51 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 7.9 m -55.07 -39.39 69.22 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 168.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 5.8 mm -68.82 -46.48 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -174.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.513 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 8.1 mmmm -58.79 -26.55 64.18 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 114.504 -1.226 . . . . 0.0 112.591 -174.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.51 ' HE ' ' HA ' ' A' ' 44' ' ' SER . 70.8 mtm180 -61.28 -58.61 7.58 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.348 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -174.09 18.04 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -166.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.551 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.9 t -65.15 -33.58 76.35 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 121.461 -0.774 . . . . 0.0 112.024 -176.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -58.82 -34.16 71.2 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.819 170.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.05 -1.14 61.44 Favored Glycine 0 CA--C 1.538 1.507 0 CA-C-O 119.629 -0.539 . . . . 0.0 114.359 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.39 163.91 19.75 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.512 0.725 . . . . 0.0 111.533 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -88.87 158.21 18.17 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.4 m -120.06 105.13 10.72 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.144 0.578 . . . . 0.0 110.286 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 t -110.22 125.93 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 124.957 1.303 . . . . 0.0 110.067 -174.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -103.78 125.14 50.03 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.653 0.781 . . . . 0.0 110.801 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.1 mt -100.7 -23.05 14.72 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 125.118 1.367 . . . . 0.0 113.299 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.621 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 3.4 t -80.84 -26.95 36.66 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -165.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.441 HG22 ' HE2' ' B' ' 35' ' ' LYS . 45.6 p -78.73 -28.16 44.94 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -175.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 tpt -79.89 -37.7 34.18 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.651 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.7 p -68.18 109.47 3.58 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.967 0.413 . . . . 0.0 111.01 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.018 0 C-N-CA 124.05 0.94 . . . . 0.0 108.888 -174.805 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.8 ttm . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.85 164.79 22.94 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.185 0.594 . . . . 0.0 111.638 171.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.39 178.31 7.56 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.696 -168.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' B' ' 17' ' ' ARG . 98.6 m-85 -102.82 114.56 28.92 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.48 1.112 . . . . 0.0 109.829 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -96.9 110.35 22.88 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.5 mt -98.61 129.87 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.757 0.823 . . . . 0.0 109.026 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.621 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 37.2 p90 -144.33 178.41 7.94 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 122.956 0.502 . . . . 0.0 110.156 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -121.04 146.53 46.62 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 166.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.596 ' HB2' ' HD2' ' B' ' 15' ' ' ARG . 5.9 t70 -101.09 -177.02 3.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 119.102 -0.475 . . . . 0.0 109.802 -173.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -41.8 -38.17 1.43 Allowed 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 127.069 2.148 . . . . 0.0 114.675 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.646 ' HB3' ' HG3' ' B' ' 13' ' ' GLU . . . -97.71 18.99 14.38 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.848 0.859 . . . . 0.0 111.037 -175.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.84 30.82 77.98 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.96 -169.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.646 ' HG3' ' HB3' ' B' ' 11' ' ' ALA . 37.8 mt-10 -81.15 92.49 6.29 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.804 0.442 . . . . 0.0 110.07 -172.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -55.68 107.04 0.3 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.656 1.217 . . . . 0.0 111.997 172.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.596 ' HD2' ' HB2' ' B' ' 9' ' ' ASP . 85.1 mtt180 -127.11 175.32 8.21 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 111.609 -2.542 . . . . 0.0 109.231 -175.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -164.36 166.73 20.46 Favored 'General case' 0 C--O 1.247 0.923 0 C-N-CA 124.543 1.137 . . . . 0.0 109.299 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 13.7 ptt180 -144.38 170.27 16.33 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.4 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -125.9 134.95 51.42 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 171.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -98.5 -178.55 4.05 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.663 -175.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.44 160.7 37.19 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.52 1.128 . . . . 0.0 108.369 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.0 m -46.55 -31.13 2.59 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -85.46 4.95 33.28 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.507 0.723 . . . . 0.0 112.863 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.01 30.09 70.24 Favored Glycine 0 C--N 1.347 1.14 0 C-N-CA 123.22 0.438 . . . . 0.0 112.674 -173.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -105.0 144.27 32.04 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.778 0.831 . . . . 0.0 108.944 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -100.41 140.85 34.07 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.455 ' HE3' ' O ' ' A' ' 41' ' ' ALA . 1.9 ppp? -114.25 -22.37 9.98 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.978 -176.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.415 ' CD1' ' SD ' ' B' ' 26' ' ' MET . 0.0 OUTLIER -158.96 164.32 35.7 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 161.214 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.2 t -168.29 174.1 7.3 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.361 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.0 m 59.48 61.59 1.97 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 162.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -57.19 4.05 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.073 161.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.08 56.94 3.12 Favored Glycine 0 C--N 1.352 1.419 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -168.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -72.5 -60.29 2.31 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 122.791 0.437 . . . . 0.0 110.311 -165.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -169.88 -72.96 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.643 0.589 . . . . 0.0 111.241 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.5 173.84 11.23 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.946 0.898 . . . . 0.0 109.279 -172.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.507 ' HD2' ' H ' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -66.23 -45.01 82.15 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.331 0.514 . . . . 0.0 110.384 -179.453 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.435 ' N ' ' HG2' ' B' ' 35' ' ' LYS . . . -60.88 -41.97 97.04 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.742 0.417 . . . . 0.0 110.316 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.9 m -66.11 -30.74 71.3 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.852 177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.6 -49.91 60.81 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 124.059 0.943 . . . . 0.0 110.582 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mp -56.66 -46.88 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.15 0.58 . . . . 0.0 110.996 174.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 63.9 m-70 -60.62 -39.2 87.34 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.977 0.511 . . . . 0.0 111.518 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.442 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -57.8 -53.74 54.81 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.832 171.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.51 HG22 ' HD3' ' B' ' 46' ' ' LYS . 71.6 mt -57.51 -27.96 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.876 0.87 . . . . 0.0 111.916 176.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 54.3 mm-40 -61.93 -31.6 71.93 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.913 0.485 . . . . 0.0 110.579 177.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m -55.35 -39.22 69.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 123.449 0.468 . . . . 0.0 112.199 169.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.548 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.6 mm -68.53 -46.21 80.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 123.617 0.573 . . . . 0.0 109.497 -175.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.2 mmmm -59.12 -26.26 64.55 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.207 -174.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 35.2 mmt-85 -62.49 -57.02 12.71 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 114.478 -1.237 . . . . 0.0 112.135 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -175.32 17.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -165.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.548 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 27.9 t -65.35 -33.47 76.05 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.437 -0.789 . . . . 0.0 111.947 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -59.4 -32.99 70.67 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.85 171.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.05 -0.9 59.82 Favored Glycine 0 CA--C 1.536 1.38 0 CA-C-O 119.727 -0.485 . . . . 0.0 114.108 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.15 162.96 21.27 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.708 0.803 . . . . 0.0 111.58 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.422 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 18.7 t70 -87.39 157.36 19.26 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.886 0.474 . . . . 0.0 110.203 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.3 m -119.44 104.49 10.38 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.351 0.66 . . . . 0.0 109.834 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 7.5 p -110.01 126.46 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 124.672 1.189 . . . . 0.0 110.903 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -103.75 125.55 50.29 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.346 0.658 . . . . 0.0 111.531 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -101.16 -20.73 15.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.85 1.26 . . . . 0.0 112.46 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.626 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.6 t -84.59 -8.55 58.86 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -169.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 50.6 p -115.1 9.52 15.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.689 -0.632 . . . . 0.0 109.464 172.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 44.7 ttp -139.24 93.14 2.65 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 32.0 p -50.03 109.35 0.28 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.165 0.986 . . . . 0.0 113.021 -164.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 C-N-CA 124.603 1.161 . . . . 0.0 108.38 -175.147 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.1 ttp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.43 163.28 27.06 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.316 0.579 . . . . 0.0 111.939 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.75 -179.63 5.98 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.788 -168.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 92.6 m-85 -100.91 121.33 41.55 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.339 1.056 . . . . 0.0 109.356 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -99.68 109.9 22.34 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.544 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 32.9 mt -96.23 119.45 44.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -176.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.698 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 50.2 p90 -141.25 169.38 17.71 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.516 HE21 ' HA2' ' A' ' 12' ' ' GLY . 12.9 pt20 -112.43 147.74 35.82 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 170.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.636 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 16.6 t70 -76.24 160.25 29.86 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 171.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -33.76 38.28 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.995 0.918 . . . . 0.0 112.013 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.71 7.84 1.36 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.826 1.25 . . . . 0.0 112.55 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.516 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 69.57 29.06 71.62 Favored Glycine 0 C--N 1.343 0.959 0 C-N-CA 124.328 0.966 . . . . 0.0 113.017 -176.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.636 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 28.4 mm-40 -92.5 88.06 6.21 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -174.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -58.34 129.57 42.64 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.422 0.629 . . . . 0.0 111.738 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.476 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 91.8 mtt180 -152.88 178.22 9.9 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.23 1.812 . . . . 0.0 109.8 -169.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -151.1 156.09 40.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.902 -1.045 . . . . 0.0 108.951 173.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -129.32 158.9 37.8 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 174.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.52 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 13.9 t80 -115.18 132.36 56.63 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 177.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -98.45 -179.37 4.32 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.469 -171.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -135.22 157.94 45.63 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 125.173 1.389 . . . . 0.0 107.627 174.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 m -36.51 -42.43 0.34 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -174.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -89.86 17.14 7.01 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.61 19.25 79.35 Favored Glycine 0 N--CA 1.47 0.925 0 N-CA-C 112.8 -0.12 . . . . 0.0 112.8 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.57 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 20.5 mt-10 -81.3 155.59 25.96 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.873 0.869 . . . . 0.0 108.762 177.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.5 m -117.29 138.76 51.54 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.742 ' HE1' ' HD2' ' A' ' 27' ' ' PHE . 1.6 ppp? -114.13 -18.69 11.6 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.456 0.703 . . . . 0.0 112.028 -176.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.742 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 10.9 p90 -154.35 160.9 41.95 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.345 0.593 . . . . 0.0 111.309 162.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -124.93 132.79 53.24 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 113.706 -1.588 . . . . 0.0 107.313 169.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -94.6 167.17 11.64 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.696 0.76 . . . . 0.0 111.712 -169.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -74.3 -20.72 60.03 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.468 169.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.476 ' HA3' ' HA ' ' A' ' 15' ' ' ARG . . . 81.37 -9.29 55.46 Favored Glycine 0 C--N 1.358 1.751 0 N-CA-C 115.661 1.024 . . . . 0.0 115.661 174.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 62.6 t80 82.08 -62.13 0.16 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.374 1.47 . . . . 0.0 109.71 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -163.49 -70.04 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.941 0.496 . . . . 0.0 111.051 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.487 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -124.15 177.28 5.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.793 0.837 . . . . 0.0 109.093 -169.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HD3' ' H ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -70.14 -42.82 72.06 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.721 0.691 . . . . 0.0 110.664 -179.449 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.99 -42.81 90.9 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.1 0.476 . . . . 0.0 110.366 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.487 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 12.2 m -67.67 -29.37 68.63 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.269 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.63 -44.81 66.42 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 123.63 0.772 . . . . 0.0 110.565 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 mp -57.08 -45.54 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 122.995 0.518 . . . . 0.0 110.478 171.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -59.66 -38.45 81.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.298 0.639 . . . . 0.0 110.903 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.38 -53.94 50.12 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.414 172.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.462 ' HA ' HG12 ' A' ' 45' ' ' ILE . 71.1 mt -59.14 -25.69 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 122.978 0.511 . . . . 0.0 111.525 178.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 43.7 mt-10 -65.15 -38.04 89.32 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -53.9 -38.67 65.05 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.037 0.836 . . . . 0.0 111.711 172.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.582 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.4 mm -68.18 -43.54 84.86 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 O-C-N 123.841 0.713 . . . . 0.0 109.214 -175.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.3 mmmm -62.37 -27.47 69.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.898 -1.046 . . . . 0.0 113.069 -175.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 43' ' ' GLU . 62.2 mtt85 -71.95 -52.35 17.59 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.532 -173.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -166.98 17.06 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -170.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 18.7 t -67.19 -33.23 74.96 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 121.528 -0.733 . . . . 0.0 112.262 -178.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.599 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -64.92 -24.16 67.44 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 122.771 0.428 . . . . 0.0 111.596 172.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.97 -4.43 48.16 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 113.54 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.11 170.52 3.58 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.85 0.86 . . . . 0.0 111.331 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -99.5 157.86 16.14 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -113.09 109.38 18.72 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.606 0.762 . . . . 0.0 109.342 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.2 121.85 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.248 1.419 . . . . 0.0 109.058 -172.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.512 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.6 p-10 -103.03 110.06 21.84 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.294 0.569 . . . . 0.0 111.065 175.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.0 mt -78.08 -26.87 48.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.092 0.957 . . . . 0.0 112.457 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.722 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 5.4 t -71.96 -11.67 60.88 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -165.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.6 p -93.25 -16.99 24.17 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 122.831 0.452 . . . . 0.0 110.302 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.436 ' HG2' HG23 ' A' ' 61' ' ' THR . 45.3 ttp -98.03 -59.32 1.78 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.884 0.874 . . . . 0.0 108.951 176.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.436 HG23 ' HG2' ' A' ' 60' ' ' MET . 31.0 p -141.57 127.01 18.78 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.51 1.124 . . . . 0.0 109.529 -177.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 175.645 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.5 ttm . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.43 161.95 29.57 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.501 0.667 . . . . 0.0 111.482 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.23 -179.02 4.84 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.859 -166.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.457 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 97.3 m-85 -100.69 121.12 41.12 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.333 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -99.5 109.72 22.24 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.512 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 29.5 mt -96.1 119.57 44.34 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -176.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.722 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 14.9 p90 -141.58 169.12 18.19 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -111.76 148.39 33.61 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 170.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.485 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 22.5 t70 -76.81 160.65 29.1 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 171.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -33.54 40.86 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.026 0.93 . . . . 0.0 111.924 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.426 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . . . -72.62 8.59 1.38 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 124.726 1.21 . . . . 0.0 112.668 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.52 29.32 71.58 Favored Glycine 0 C--N 1.346 1.11 0 C-N-CA 124.297 0.951 . . . . 0.0 112.884 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.485 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 11.8 mm-40 -93.03 87.82 5.89 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -174.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.42 ' CD1' ' HB3' ' B' ' 35' ' ' LYS . 68.2 m-85 -58.05 131.59 50.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.651 0.739 . . . . 0.0 112.088 177.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.441 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 14.4 ptp180 -156.04 176.84 12.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 113.584 -1.644 . . . . 0.0 110.13 -168.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -150.07 156.36 41.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.965 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -128.85 159.48 35.63 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.491 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 14.4 t80 -116.04 132.58 56.61 Favored 'General case' 0 C--O 1.243 0.745 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -98.53 -179.73 4.42 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.453 -171.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -135.18 157.75 46.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.133 1.373 . . . . 0.0 107.784 174.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 56.3 p -35.66 -42.73 0.25 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -175.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.79 16.09 8.64 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.432 0.693 . . . . 0.0 112.668 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.91 18.81 79.34 Favored Glycine 0 C--N 1.344 1.019 0 N-CA-C 112.7 -0.16 . . . . 0.0 112.7 -175.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.589 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 12.6 mm-40 -80.02 156.02 27.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.892 0.877 . . . . 0.0 109.023 176.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 63.4 m -118.06 138.41 52.25 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.635 ' HE1' ' HD1' ' B' ' 27' ' ' PHE . 1.4 ppp? -113.89 -17.87 11.92 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.363 0.665 . . . . 0.0 111.975 -176.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.635 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 15.8 p90 -156.82 160.56 39.32 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.473 0.654 . . . . 0.0 111.682 162.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.9 m -124.03 132.79 53.73 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 113.484 -1.689 . . . . 0.0 106.947 171.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -93.37 166.99 12.01 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.784 0.802 . . . . 0.0 111.719 -169.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -75.21 -20.52 59.23 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 113.826 -1.534 . . . . 0.0 109.332 168.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' B' ' 15' ' ' ARG . . . 81.9 -9.4 56.74 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 115.38 0.912 . . . . 0.0 115.38 173.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 63.2 t80 82.11 -62.51 0.16 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.447 1.499 . . . . 0.0 109.469 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -163.44 -69.8 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.03 0.532 . . . . 0.0 111.178 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.453 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -124.13 177.34 5.87 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.913 0.885 . . . . 0.0 109.057 -169.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' B' ' 36' ' ' ALA . 2.7 pptp? -70.14 -42.46 72.51 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 118.981 0.81 . . . . 0.0 110.763 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.447 ' N ' ' HD2' ' B' ' 35' ' ' LYS . . . -59.06 -43.13 91.68 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.904 0.481 . . . . 0.0 110.213 175.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.453 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 5.3 m -67.4 -29.77 69.36 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.11 176.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.75 -44.64 66.36 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.421 0.688 . . . . 0.0 110.572 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -56.92 -46.14 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.0 0.52 . . . . 0.0 110.414 171.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -58.46 -39.16 79.12 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.282 0.633 . . . . 0.0 111.218 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.98 -54.06 49.54 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.486 172.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.491 HG22 ' HD3' ' B' ' 46' ' ' LYS . 74.2 mt -59.08 -26.11 32.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 123.023 0.529 . . . . 0.0 111.367 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.556 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 41.3 mt-10 -64.36 -38.55 91.44 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 37.9 m -53.81 -38.51 64.64 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 124.135 0.897 . . . . 0.0 111.531 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.575 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.5 mm -68.27 -43.39 84.62 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 123.901 0.75 . . . . 0.0 109.357 -175.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.3 mmmm -63.59 -26.08 68.53 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.547 -174.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 14.2 mmt180 -72.99 -51.74 17.12 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.143 -0.935 . . . . 0.0 112.289 -173.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -167.11 16.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -170.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.575 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 20.4 t -67.13 -33.53 75.65 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.228 -0.92 . . . . 0.0 112.208 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.93 -23.9 67.36 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.679 0.392 . . . . 0.0 111.673 172.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.69 -4.46 48.99 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.674 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.87 170.7 3.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.853 0.861 . . . . 0.0 111.395 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.47 158.03 16.21 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.4 m -113.12 109.33 18.62 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.336 0.654 . . . . 0.0 109.369 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 52.2 t -118.09 122.26 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.913 1.285 . . . . 0.0 108.976 -173.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.544 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 9.3 p-10 -102.94 110.37 22.26 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.37 0.605 . . . . 0.0 111.024 175.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.81 -22.71 49.62 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.615 1.166 . . . . 0.0 111.717 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.698 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.0 t -93.56 10.9 30.67 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.974 -171.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m -30.37 -52.39 0.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.334 1.854 . . . . 0.0 114.486 -173.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 23.3 mmt -75.72 78.78 2.67 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 168.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 60.9 p -76.8 126.98 31.89 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.486 -170.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.391 177.178 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.8 ttm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.14 164.41 25.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 121.213 0.53 . . . . 0.0 111.344 173.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.584 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -164.34 177.63 8.11 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.24 -165.177 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 95.8 m-85 -100.84 112.02 24.35 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.776 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.455 ' HB2' ' HG2' ' A' ' 17' ' ' ARG . 67.1 mt-10 -93.06 105.6 17.68 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 mt -99.41 120.04 48.24 Favored 'Isoleucine or valine' 0 C--N 1.345 0.37 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -175.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.536 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.0 p90 -141.1 -177.97 5.36 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -122.85 150.28 43.08 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -89.32 165.08 14.62 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 124.633 1.173 . . . . 0.0 109.299 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -45.11 -37.01 3.98 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 126.049 1.74 . . . . 0.0 112.511 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.98 10.66 2.17 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.912 0.885 . . . . 0.0 112.303 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.34 33.44 87.24 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 124.645 1.117 . . . . 0.0 112.668 -176.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -108.03 119.21 38.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.551 0.34 . . . . 0.0 110.502 -172.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.74 124.72 29.28 Favored 'General case' 0 C--N 1.345 0.377 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 42.4 mtt180 -139.92 137.59 34.92 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.798 1.239 . . . . 0.0 108.247 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.413 ' CD1' ' HA2' ' A' ' 31' ' ' GLY . 49.7 p90 -108.76 166.31 10.9 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 121.546 0.688 . . . . 0.0 109.256 170.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HD2' ' HE1' ' A' ' 7' ' ' TYR . 3.1 ptm180 -139.17 162.18 35.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.009 174.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.513 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 20.0 t80 -119.11 133.5 55.75 Favored 'General case' 0 C--O 1.245 0.863 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 173.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -102.19 -179.02 3.87 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.006 -171.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.23 172.67 10.81 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 125.611 1.564 . . . . 0.0 107.426 174.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.2 p -69.41 -32.68 71.83 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 118.981 0.81 . . . . 0.0 111.313 -161.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -92.45 16.92 10.8 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.582 0.753 . . . . 0.0 111.592 -178.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.43 19.92 63.26 Favored Glycine 0 C--N 1.346 1.12 0 N-CA-C 114.515 0.566 . . . . 0.0 114.515 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -83.62 154.18 23.88 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.033 0.533 . . . . 0.0 109.608 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 m -115.42 151.14 35.26 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.513 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 2.2 ppp? -127.02 -32.66 2.51 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.468 0.707 . . . . 0.0 112.222 -175.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.534 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 1.3 p90 -144.16 158.72 43.56 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.915 0.325 . . . . 0.0 110.166 168.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 t -163.33 -176.92 5.02 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 m 92.37 -23.02 0.07 Allowed 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 148.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.583 ' HG3' ' H ' ' B' ' 28' ' ' SER . 30.0 mm-40 -76.97 -88.21 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.05 0.841 . . . . 0.0 111.862 176.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 15' ' ' ARG . . . 82.29 0.69 90.01 Favored Glycine 0 N--CA 1.476 1.345 0 CA-C-O 119.864 -0.409 . . . . 0.0 113.619 -171.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 t80 73.16 -65.22 0.37 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.914 1.685 . . . . 0.0 111.901 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -152.95 -56.06 0.12 Allowed 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 120.925 0.393 . . . . 0.0 110.751 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.474 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -141.11 -174.14 3.92 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.241 1.017 . . . . 0.0 108.747 -175.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -62.71 -46.19 89.25 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 118.644 0.656 . . . . 0.0 110.571 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.02 -47.64 68.17 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.22 0.608 . . . . 0.0 111.041 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.474 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.8 m -71.23 -27.17 63.28 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.397 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.95 -55.0 21.73 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 123.711 0.804 . . . . 0.0 110.236 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.407 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.3 mp -55.86 -47.83 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 123.349 0.66 . . . . 0.0 111.234 175.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -55.72 -44.21 77.27 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.876 0.47 . . . . 0.0 111.317 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.36 -54.67 44.22 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.096 173.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.4 mt -56.18 -30.0 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.171 0.589 . . . . 0.0 111.904 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 44.2 mt-10 -64.27 -33.07 74.97 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.701 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.9 m -53.57 -41.18 66.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 123.573 0.546 . . . . 0.0 111.473 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.576 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.2 mm -69.1 -45.68 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.212 -174.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 8.6 mmmm -61.88 -24.59 67.03 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.027 -176.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 37.3 mmt180 -65.37 -57.96 7.07 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 123.764 0.665 . . . . 0.0 111.67 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -167.74 16.17 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -166.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.576 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.6 t -67.73 -32.77 73.62 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.262 -0.899 . . . . 0.0 112.927 -172.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.61 -30.41 71.33 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 122.577 0.351 . . . . 0.0 111.707 172.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.08 -0.05 57.31 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 115.867 -0.606 . . . . 0.0 113.774 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.04 167.71 7.52 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.572 0.749 . . . . 0.0 111.548 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.62 ' HB3' ' HB3' ' B' ' 3' ' ' LYS . 32.9 t70 -88.83 156.59 18.85 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.6 m -125.28 116.41 21.91 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.19 136.58 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.135 0.974 . . . . 0.0 110.981 -171.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -100.28 114.26 27.59 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.967 0.907 . . . . 0.0 109.748 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -79.27 -18.28 53.04 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.518 1.127 . . . . 0.0 110.926 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.599 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 7.3 t -89.56 11.53 19.31 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.876 0.87 . . . . 0.0 111.629 -174.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 p -76.01 -48.3 21.56 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 170.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.0 ttt -96.02 88.66 4.94 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 160.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 p -55.42 116.5 2.89 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.336 0.654 . . . . 0.0 111.74 -173.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 C-N-CA 124.205 1.002 . . . . 0.0 109.188 -178.862 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 45.2 ttm . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.59 161.01 24.09 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.218 0.532 . . . . 0.0 111.366 174.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -160.55 176.76 11.23 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.075 -165.24 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.411 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 92.7 m-85 -100.8 111.82 24.12 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.834 178.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -93.11 105.84 17.88 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mt -99.92 119.89 48.6 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.599 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 24.7 p90 -140.98 -178.86 5.76 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -121.33 149.82 42.37 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 168.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.437 ' HB2' ' HD3' ' B' ' 15' ' ' ARG . 32.8 t70 -89.3 165.7 14.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.515 1.126 . . . . 0.0 109.463 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -45.88 -36.37 5.29 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.992 1.717 . . . . 0.0 112.603 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.42 10.55 2.48 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.973 0.909 . . . . 0.0 112.079 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.56 33.2 86.59 Favored Glycine 0 C--N 1.347 1.169 0 C-N-CA 124.401 1.001 . . . . 0.0 113.004 -175.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.402 ' O ' ' HD2' ' B' ' 15' ' ' ARG . 47.3 mt-10 -108.24 109.26 20.58 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 122.463 0.305 . . . . 0.0 110.637 -172.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -64.83 124.42 21.94 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.368 0.604 . . . . 0.0 112.532 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.498 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 0.0 OUTLIER -141.94 139.36 32.47 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 113.828 -1.533 . . . . 0.0 109.711 177.649 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -108.75 166.44 10.8 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-O 121.767 0.794 . . . . 0.0 109.583 171.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -139.6 162.34 35.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.605 -1.634 . . . . 0.0 109.489 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.519 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.9 t80 -119.16 133.09 55.98 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 173.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -101.96 -178.86 3.83 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.117 -171.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.14 161.5 29.92 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.685 1.594 . . . . 0.0 107.547 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 75.3 p -49.72 -38.3 32.85 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -94.34 17.27 13.18 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 122.8 0.44 . . . . 0.0 110.801 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.56 19.54 61.78 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 114.528 0.571 . . . . 0.0 114.528 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -83.9 154.42 23.43 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -114.81 151.26 34.14 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.519 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 2.2 ppp? -127.41 -32.7 2.41 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.595 0.758 . . . . 0.0 112.258 -176.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.426 ' HD2' ' HE1' ' B' ' 26' ' ' MET . 1.9 p90 -144.36 158.83 43.54 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 118.06 0.391 . . . . 0.0 110.163 168.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.583 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 33.2 m -162.82 -177.4 5.5 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.824 1.25 . . . . 0.0 111.16 -174.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 43.5 t 93.41 -23.87 0.05 Allowed 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 147.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -77.49 -87.89 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 118.687 0.676 . . . . 0.0 111.358 178.02 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' B' ' 15' ' ' ARG . . . 80.95 2.02 90.14 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-O 120.004 -0.331 . . . . 0.0 113.534 -171.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 t80 72.48 -64.71 0.38 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 126.083 1.753 . . . . 0.0 112.067 174.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -153.47 -56.54 0.12 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.008 0.523 . . . . 0.0 110.624 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.457 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -140.98 -174.17 3.92 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.203 1.001 . . . . 0.0 108.801 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -61.96 -46.7 88.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.662 0.785 . . . . 0.0 110.245 178.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.16 -47.35 68.86 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.465 0.706 . . . . 0.0 110.968 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.457 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 5.8 m -72.68 -26.8 61.76 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.084 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -54.75 24.51 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 123.536 0.734 . . . . 0.0 109.957 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.76 -47.85 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.555 0.742 . . . . 0.0 111.194 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -56.16 -43.44 78.32 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 123.57 0.544 . . . . 0.0 111.152 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.447 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -58.16 -54.56 45.56 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.034 174.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 65.4 mt -55.78 -30.59 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 123.342 0.657 . . . . 0.0 111.737 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 42.6 mt-10 -63.45 -33.76 76.28 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 119.073 -0.489 . . . . 0.0 110.471 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 37.9 m -53.39 -41.27 65.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 123.739 0.649 . . . . 0.0 111.509 170.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.0 mm -69.24 -45.51 79.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.191 -174.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.7 mmmm -63.05 -23.26 67.37 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.694 -176.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 22.8 mmm180 -66.67 -57.76 6.52 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.5 0.5 . . . . 0.0 111.545 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -166.94 16.51 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -166.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.568 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 20.2 t -67.31 -33.1 74.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.527 -0.733 . . . . 0.0 112.821 -172.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.47 -30.86 71.56 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.576 0.35 . . . . 0.0 111.593 172.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.0 0.56 57.53 Favored Glycine 0 C--N 1.351 1.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 113.826 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.29 167.59 8.18 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.575 0.75 . . . . 0.0 111.555 176.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.584 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 26.0 t70 -88.83 156.61 18.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.097 0.559 . . . . 0.0 109.637 175.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 47.2 m -125.3 116.55 22.11 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.7 p -130.98 137.73 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.106 0.962 . . . . 0.0 110.93 -171.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.3 116.04 31.82 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.393 0.677 . . . . 0.0 109.978 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.61 -24.35 36.47 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.418 1.087 . . . . 0.0 112.362 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.536 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.5 t -88.22 16.73 5.84 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 120.011 1.278 . . . . 0.0 111.187 -170.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 36.6 p -123.63 19.29 9.53 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.481 1.112 . . . . 0.0 109.296 172.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 49.3 ttp -150.68 -61.28 0.19 Allowed 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 46.6 p -96.55 118.14 32.42 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.805 0.842 . . . . 0.0 109.809 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.372 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.852 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 ttm . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -61.22 162.98 6.79 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.502 0.721 . . . . 0.0 112.082 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.17 179.29 6.98 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.103 -163.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -103.46 109.77 21.55 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.527 1.131 . . . . 0.0 109.035 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.465 ' HB2' ' CG ' ' A' ' 17' ' ' ARG . 35.1 mt-10 -94.93 107.8 19.84 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.438 -178.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.495 ' HA ' ' HB3' ' A' ' 16' ' ' PHE . 24.6 mt -96.17 126.1 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.041 0.936 . . . . 0.0 109.042 -172.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.65 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.0 p90 -140.49 179.97 6.36 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.263 0.554 . . . . 0.0 109.711 177.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -117.33 141.54 48.19 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 162.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.677 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.4 t70 -90.81 169.36 11.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -176.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -41.17 -37.54 0.92 Allowed 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 126.376 1.871 . . . . 0.0 113.211 -177.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.45 11.63 1.53 Allowed 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 124.166 0.986 . . . . 0.0 112.852 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.96 25.78 64.61 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 123.528 0.585 . . . . 0.0 112.695 -172.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -105.5 133.83 49.61 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -170.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -88.22 114.38 24.78 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.831 0.824 . . . . 0.0 109.723 -166.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.677 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 97.9 mtt180 -135.77 138.19 42.39 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.209 -1.814 . . . . 0.0 109.268 -171.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.495 ' HB3' ' HA ' ' A' ' 6' ' ' ILE . 32.1 p90 -124.02 169.21 11.88 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.226 0.61 . . . . 0.0 110.564 174.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' CG ' ' HB2' ' A' ' 5' ' ' GLU . 8.3 ptm180 -127.51 159.94 33.03 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.767 178.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -118.77 130.64 55.91 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 167.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -98.82 -177.79 3.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.574 -1.193 . . . . 0.0 110.811 -174.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.441 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . . . -138.46 164.33 29.66 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.475 1.11 . . . . 0.0 108.064 173.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -51.85 -31.41 27.65 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -176.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -75.75 -9.54 58.68 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.838 0.855 . . . . 0.0 111.818 -178.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.02 45.6 10.21 Favored Glycine 0 C--N 1.341 0.821 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.441 ' HG3' ' HB3' ' A' ' 20' ' ' ALA . 7.7 pt-20 -125.12 142.23 51.62 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.998 0.919 . . . . 0.0 109.063 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 m -96.62 131.06 43.65 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.532 0.733 . . . . 0.0 109.703 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.477 ' HB2' ' HE2' ' A' ' 26' ' ' MET . 1.0 OUTLIER -108.69 -17.95 13.83 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.283 -176.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' HD2' ' HG2' ' B' ' 30' ' ' GLU . 0.0 OUTLIER -163.68 165.84 22.85 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 160.122 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.7 p -178.31 172.52 1.51 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 114.469 -1.241 . . . . 0.0 111.278 -170.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m 64.63 24.21 12.94 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 165.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.506 ' HG2' ' HD2' ' B' ' 27' ' ' PHE . 0.0 OUTLIER -52.7 -36.33 57.08 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.398 1.079 . . . . 0.0 111.437 170.135 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.49 55.5 20.27 Favored Glycine 0 C--N 1.36 1.87 0 CA-C-O 119.262 -0.743 . . . . 0.0 112.598 172.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -69.51 -62.84 1.22 Allowed 'General case' 0 C--N 1.353 0.76 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -167.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -171.93 -74.54 0.01 OUTLIER 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.579 0.549 . . . . 0.0 112.185 163.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.34 172.52 8.6 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.352 0.661 . . . . 0.0 109.684 -168.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 2.5 pptp? -67.25 -43.41 81.96 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.601 0.637 . . . . 0.0 111.306 -177.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.403 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -56.63 -40.67 75.79 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.79 0.436 . . . . 0.0 110.857 175.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.7 m -71.83 -30.73 65.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.822 0.849 . . . . 0.0 111.093 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.81 -54.38 16.19 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.604 0.762 . . . . 0.0 110.824 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.88 -46.8 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.207 0.603 . . . . 0.0 110.91 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -55.83 -40.81 73.33 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.973 0.509 . . . . 0.0 111.659 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.35 -52.06 67.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.2 0.6 . . . . 0.0 110.058 173.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.438 ' HA ' HG12 ' A' ' 45' ' ' ILE . 71.0 mt -60.07 -27.74 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.788 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.6 mt-10 -67.45 -32.71 73.76 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 119.116 -0.469 . . . . 0.0 110.19 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.1 m -57.45 -39.22 75.82 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.628 0.58 . . . . 0.0 111.567 171.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.504 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.6 mm -67.04 -42.61 88.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -175.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.614 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.2 mmmm -59.78 -26.33 65.63 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -177.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 29.7 mmt180 -71.42 -50.29 33.35 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.963 -171.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -170.35 18.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.504 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 7.7 t -62.31 -37.29 85.0 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.551 -0.718 . . . . 0.0 112.221 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.608 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.09 -24.94 68.13 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.353 174.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.66 -11.72 46.42 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.675 173.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.73 138.86 56.57 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.9 0.88 . . . . 0.0 111.087 -175.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -68.13 159.33 31.19 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.809 0.444 . . . . 0.0 111.365 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -115.32 102.52 9.93 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' B' ' 5' ' ' GLU . 7.1 p -104.41 127.86 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.95 0.9 . . . . 0.0 110.196 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -107.18 121.13 43.9 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 122.847 0.459 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -96.56 -20.55 18.27 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.518 1.127 . . . . 0.0 112.784 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.638 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 8.8 t -86.57 5.06 37.43 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 122.801 0.44 . . . . 0.0 111.678 -172.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.47 -24.76 62.93 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.708 0.803 . . . . 0.0 109.863 167.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -147.96 -173.02 4.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.33 1.052 . . . . 0.0 110.008 -171.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.6 p -99.85 128.07 45.97 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.592 0.757 . . . . 0.0 109.045 168.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.275 0 C-N-CA 123.829 0.852 . . . . 0.0 109.225 -179.406 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttm . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -68.34 162.66 24.77 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.549 0.69 . . . . 0.0 111.827 170.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.95 178.94 7.35 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.015 -167.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.415 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 97.0 m-85 -103.29 109.48 21.1 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.607 1.163 . . . . 0.0 109.284 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.424 ' HA ' HG13 ' A' ' 55' ' ' VAL . 79.4 mt-10 -94.24 106.04 18.02 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.58 0.752 . . . . 0.0 109.187 -177.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.47 ' HA ' ' HB3' ' B' ' 16' ' ' PHE . 23.6 mt -95.8 125.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.838 0.855 . . . . 0.0 109.082 -172.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.673 ' HE1' ' HG3' ' B' ' 17' ' ' ARG . 47.1 p90 -140.51 -179.46 6.03 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.336 0.589 . . . . 0.0 109.702 176.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -116.75 141.58 48.02 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 163.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -92.01 169.41 10.68 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -41.05 -37.43 0.84 Allowed 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 126.358 1.863 . . . . 0.0 113.243 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.55 11.75 1.52 Allowed 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 124.328 1.051 . . . . 0.0 112.757 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.33 26.16 63.66 Favored Glycine 0 C--N 1.352 1.458 0 C-N-CA 123.714 0.674 . . . . 0.0 112.69 -172.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -104.88 133.08 50.29 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -170.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -88.05 114.19 24.42 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.901 0.857 . . . . 0.0 109.825 -166.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -135.64 137.75 42.18 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 113.127 -1.851 . . . . 0.0 109.393 -170.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.47 ' HB3' ' HA ' ' B' ' 6' ' ' ILE . 32.5 p90 -124.02 168.37 12.93 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.445 0.64 . . . . 0.0 110.478 174.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.673 ' HG3' ' HE1' ' B' ' 7' ' ' TYR . 16.7 mtm180 -125.1 159.92 30.29 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.326 -1.306 . . . . 0.0 109.436 178.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -119.03 130.83 55.86 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 165.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -98.61 -177.78 3.78 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.94 -174.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.83 163.91 30.24 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.514 1.125 . . . . 0.0 108.191 173.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.9 p -52.35 -30.75 30.19 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -75.57 -9.59 58.71 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 123.689 0.795 . . . . 0.0 111.793 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.22 46.06 9.5 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -173.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -125.69 141.97 51.75 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.201 1.0 . . . . 0.0 108.97 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 90.9 m -96.01 131.58 42.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.451 0.7 . . . . 0.0 109.555 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.436 ' HE1' ' CD1' ' B' ' 27' ' ' PHE . 1.1 ppp? -108.96 -18.07 13.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.272 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.506 ' HD2' ' HG2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -163.95 166.03 22.04 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 160.436 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.454 ' CB ' ' HG2' ' B' ' 17' ' ' ARG . 58.9 p -178.06 173.02 1.54 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.583 -169.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m 63.36 24.62 14.29 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 164.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.499 ' HG2' ' HD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -52.6 -35.93 55.19 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.402 1.081 . . . . 0.0 111.528 169.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.53 54.94 23.18 Favored Glycine 0 C--N 1.359 1.859 0 CA-C-O 119.223 -0.765 . . . . 0.0 112.404 172.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -69.19 -62.83 1.22 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -167.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -172.24 -74.93 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 O-C-N 123.639 0.587 . . . . 0.0 112.123 163.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.18 171.5 9.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.321 0.648 . . . . 0.0 109.322 -167.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.48 ' HZ2' HG23 ' A' ' 58' ' ' THR . 14.6 tttp -65.99 -45.02 83.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.26 0.624 . . . . 0.0 110.966 -177.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.65 -41.02 73.02 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.931 0.492 . . . . 0.0 111.03 174.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.7 m -72.05 -30.78 65.51 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.747 0.819 . . . . 0.0 111.187 176.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.21 -54.64 16.37 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 123.794 0.838 . . . . 0.0 110.833 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.413 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.4 mp -56.68 -47.06 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.185 0.594 . . . . 0.0 110.813 174.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -56.43 -40.36 74.63 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 123.518 0.511 . . . . 0.0 111.385 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.15 -52.39 65.91 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.059 0.544 . . . . 0.0 110.184 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.427 ' HA ' HG12 ' B' ' 45' ' ' ILE . 70.9 mt -59.5 -28.3 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 122.956 0.502 . . . . 0.0 111.894 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.521 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 46.4 mt-10 -67.46 -31.78 72.17 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.587 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 28.6 m -58.08 -39.0 77.47 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.439 0.462 . . . . 0.0 111.723 170.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.468 ' HA ' ' HB3' ' B' ' 49' ' ' SER . 2.6 mm -67.47 -42.35 87.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.608 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.5 mmmm -60.15 -26.43 66.29 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 31.5 mmt180 -70.38 -49.99 43.38 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.705 -172.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -170.99 17.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -169.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.468 ' HB3' ' HA ' ' B' ' 45' ' ' ILE . 87.4 p -61.59 -38.35 87.22 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 118.765 0.711 . . . . 0.0 112.052 -176.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.52 -24.9 67.74 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.633 0.773 . . . . 0.0 112.302 175.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.86 -12.13 44.39 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.771 -0.46 . . . . 0.0 113.578 173.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.48 138.98 57.01 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.862 0.865 . . . . 0.0 111.116 -175.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -69.53 159.67 32.9 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.922 0.391 . . . . 0.0 111.345 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.3 m -115.0 101.84 9.39 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 90.6 t -103.14 126.97 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.518 1.127 . . . . 0.0 109.545 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.423 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.2 t70 -106.84 121.4 44.34 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.112 0.565 . . . . 0.0 110.784 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.21 -24.04 15.89 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.969 1.307 . . . . 0.0 112.57 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.65 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.2 t -78.56 -30.75 47.03 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -165.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 66.5 p -94.46 -14.59 25.02 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 53.7 ttp -71.25 -55.15 8.66 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 124.036 0.934 . . . . 0.0 109.245 168.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 17.4 p -138.4 120.45 15.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.287 1.035 . . . . 0.0 109.288 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' B' ' 58' ' ' THR . . . . . . . . 0 C--O 1.251 1.152 0 C-N-CA 123.815 0.846 . . . . 0.0 109.166 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.4 ttm . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.4 ' OH ' ' HB2' ' B' ' 47' ' ' ARG . 0.9 OUTLIER -155.13 174.41 15.24 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.163 0.985 . . . . 0.0 110.332 177.235 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.8 OUTLIER -164.44 176.31 9.15 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.248 0.547 . . . . 0.0 111.699 -173.761 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -95.29 112.85 24.5 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.595 1.158 . . . . 0.0 108.545 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -93.67 106.04 18.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.554 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 21.4 mt -99.93 120.67 49.66 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -177.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.553 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 34.4 p90 -138.12 -177.25 4.74 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -122.03 151.73 40.53 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 161.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 31.0 t70 -81.54 164.55 21.87 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.88 -35.65 10.79 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.332 1.453 . . . . 0.0 111.411 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.3 13.56 1.15 Allowed 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 115.179 -0.918 . . . . 0.0 112.224 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.06 21.64 77.01 Favored Glycine 0 C--N 1.349 1.254 0 C-N-CA 124.435 1.017 . . . . 0.0 113.34 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 36.3 mt-10 -95.79 96.83 9.23 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.354 0.261 . . . . 0.0 111.269 -168.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.48 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 74.6 m-85 -52.86 124.32 13.76 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.056 0.542 . . . . 0.0 111.579 174.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -146.7 136.69 23.4 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 126.069 1.748 . . . . 0.0 108.161 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -116.19 133.45 56.01 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 172.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -110.19 161.54 15.47 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.628 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 11.6 t80 -117.59 134.1 55.24 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 175.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -96.88 -178.6 4.28 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.866 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.522 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . . . -136.06 165.67 25.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.891 177.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.7 p -57.72 -27.45 62.99 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.713 0.805 . . . . 0.0 112.663 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -75.89 -7.65 55.03 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.883 0.873 . . . . 0.0 111.559 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.53 42.23 55.96 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -173.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.522 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 17.1 pt-20 -121.32 138.56 54.19 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.6 m -88.61 138.36 31.49 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.628 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.1 ppp? -115.18 -11.83 11.96 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.887 -177.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.611 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 9.5 p90 -162.84 158.94 23.29 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.174 0.511 . . . . 0.0 111.247 162.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 t -120.19 132.63 55.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 113.099 -1.864 . . . . 0.0 106.058 169.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.6 ' HB3' ' HE2' ' A' ' 27' ' ' PHE . 95.4 p -98.6 178.62 4.95 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.431 1.014 . . . . 0.0 111.782 -171.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.49 -28.92 68.25 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.38 -1.736 . . . . 0.0 110.616 168.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 79.4 -11.08 33.0 Favored Glycine 0 C--N 1.359 1.816 0 CA-C-N 116.074 -0.512 . . . . 0.0 113.839 -172.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.7 t80 80.84 -60.79 0.25 Allowed 'General case' 0 C--N 1.355 0.84 0 C-N-CA 126.329 1.852 . . . . 0.0 110.622 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -156.16 -69.12 0.11 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.854 0.462 . . . . 0.0 111.01 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.488 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -133.37 -172.99 3.09 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.276 1.03 . . . . 0.0 109.086 -171.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.624 ' HG2' HG21 ' B' ' 61' ' ' THR . 0.0 OUTLIER -68.28 -48.72 64.26 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 118.406 0.548 . . . . 0.0 109.654 179.277 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.78 88.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.224 0.61 . . . . 0.0 110.698 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.488 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 4.4 m -71.22 -29.91 65.72 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.657 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.02 -43.33 71.55 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.222 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.73 -48.3 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.455 0.702 . . . . 0.0 110.471 171.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -58.53 -39.43 80.13 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.387 0.675 . . . . 0.0 110.594 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -61.1 -52.47 64.78 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.033 174.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.604 ' HA ' HG12 ' A' ' 45' ' ' ILE . 94.3 mt -60.65 -25.19 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.114 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.6 mt-10 -67.04 -31.84 72.65 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 122.28 -0.262 . . . . 0.0 110.343 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 4.2 m -59.35 -38.86 81.45 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 123.335 0.397 . . . . 0.0 111.897 168.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.604 HG12 ' HA ' ' A' ' 42' ' ' ILE . 4.7 mm -67.16 -40.29 84.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.53 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.7 mmmm -63.62 -19.26 64.72 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 17.7 mmm180 -73.95 -55.53 6.05 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.464 -174.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -166.73 16.78 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -169.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.47 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 7.4 t -61.39 -36.87 81.47 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.381 -0.824 . . . . 0.0 112.711 -174.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.524 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.09 -22.27 66.74 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 175.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.17 -6.19 29.87 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-O 119.864 -0.409 . . . . 0.0 113.627 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.57 138.4 58.38 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.005 0.922 . . . . 0.0 111.182 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.67 151.25 47.75 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 122.863 0.465 . . . . 0.0 110.616 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.4 m -114.94 118.79 34.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.445 0.698 . . . . 0.0 109.317 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.0 t -127.97 126.13 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.434 1.094 . . . . 0.0 109.395 -172.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.537 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.9 p-10 -103.39 108.17 19.3 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.87 0.843 . . . . 0.0 110.431 172.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.06 -18.74 60.79 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.863 1.265 . . . . 0.0 111.625 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.602 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.0 t -86.76 -13.87 43.99 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.751 0.42 . . . . 0.0 111.829 -172.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.0 p 34.83 33.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -174.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 93.8 mmm -82.38 140.36 33.53 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.016 0.526 . . . . 0.0 109.714 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 89.5 m -75.05 -35.81 61.86 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.395 0.678 . . . . 0.0 110.725 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.305 0 C-N-CA 123.57 0.748 . . . . 0.0 110.434 -179.057 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.7 ttm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.22 170.81 9.46 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.094 0.473 . . . . 0.0 111.391 170.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -162.91 175.94 10.69 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.345 -173.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -94.32 112.8 24.61 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.607 1.163 . . . . 0.0 108.687 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -93.17 105.62 17.69 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.537 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 14.2 mt -99.53 120.31 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.602 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 27.2 p90 -137.84 -177.18 4.69 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -122.62 151.58 41.32 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 161.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.472 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 33.4 t70 -81.06 164.62 22.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 177.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -48.32 -35.67 12.79 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 125.411 1.484 . . . . 0.0 111.563 176.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.63 13.35 1.02 Allowed 'General case' 0 CA--C 1.564 1.5 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.447 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.22 21.31 77.16 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 124.273 0.94 . . . . 0.0 113.167 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 48.3 mt-10 -95.26 97.25 9.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.655 0.382 . . . . 0.0 111.086 -168.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.467 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 97.2 m-85 -53.75 124.78 16.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.879 0.472 . . . . 0.0 111.056 174.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -146.22 137.0 24.28 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 126.139 1.775 . . . . 0.0 108.192 -176.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -116.18 134.01 55.4 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -110.27 161.82 15.22 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.645 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 11.7 t80 -117.61 134.06 55.29 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 174.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -96.6 -178.84 4.4 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.764 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.33 164.82 26.87 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.282 1.033 . . . . 0.0 108.688 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 28.3 p -57.79 -26.65 62.23 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.513 0.725 . . . . 0.0 112.534 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -76.71 -6.94 54.25 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.8 0.84 . . . . 0.0 112.005 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.4 41.28 58.88 Favored Glycine 0 C--N 1.344 0.985 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 -173.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -120.66 138.55 53.87 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.2 1.0 . . . . 0.0 108.593 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 59.0 m -88.97 138.32 31.51 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.645 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.1 ppp? -115.12 -12.21 11.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.726 0.81 . . . . 0.0 111.844 -176.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.614 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 9.7 p90 -162.58 158.53 23.53 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.319 0.581 . . . . 0.0 111.342 163.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 75.6 m -119.62 133.03 55.82 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 113.171 -1.831 . . . . 0.0 106.511 168.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.611 ' HB3' ' HE2' ' B' ' 27' ' ' PHE . 92.9 p -98.7 178.66 4.92 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.415 1.007 . . . . 0.0 111.775 -171.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.31 -29.19 68.71 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.233 -1.803 . . . . 0.0 110.634 168.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 79.26 -10.92 32.89 Favored Glycine 0 C--N 1.357 1.729 0 CA-C-N 115.889 -0.596 . . . . 0.0 113.737 -172.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 72.2 t80 80.92 -61.12 0.23 Allowed 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.032 1.733 . . . . 0.0 110.508 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -156.37 -69.17 0.11 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.928 0.491 . . . . 0.0 110.824 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.489 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -133.23 -173.53 3.23 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.055 0.942 . . . . 0.0 109.447 -171.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.83 -50.59 62.1 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 118.684 0.675 . . . . 0.0 109.329 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.94 82.9 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.134 0.573 . . . . 0.0 110.966 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.489 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 2.8 m -72.33 -29.72 64.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.006 0.922 . . . . 0.0 110.539 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.13 -43.35 71.13 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.154 176.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.47 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 1.8 mp -56.99 -48.77 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.451 0.7 . . . . 0.0 110.414 171.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -57.17 -40.29 77.01 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.427 0.691 . . . . 0.0 110.758 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.51 -52.67 64.2 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.108 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.562 ' HA ' HG12 ' B' ' 45' ' ' ILE . 94.6 mt -60.33 -25.71 34.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.021 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.49 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 19.2 mm-40 -66.86 -31.88 72.79 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m -59.11 -38.63 80.02 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 168.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.562 HG12 ' HA ' ' B' ' 42' ' ' ILE . 3.6 mm -67.89 -40.07 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.4 mmmm -63.84 -18.78 64.49 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -177.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 26.7 mmt180 -74.54 -54.9 6.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.31 -173.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -167.25 16.63 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 -169.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.431 ' HB3' ' HA ' ' B' ' 45' ' ' ILE . 85.9 p -60.42 -37.74 81.84 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -175.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.2 -22.39 66.84 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.391 0.676 . . . . 0.0 112.207 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.95 -6.07 30.39 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-O 119.785 -0.453 . . . . 0.0 113.723 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.75 137.75 57.98 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.144 0.978 . . . . 0.0 111.172 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.415 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 17.2 t0 -65.49 151.2 46.95 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.196 0.598 . . . . 0.0 110.776 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.8 m -115.5 119.3 35.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.276 0.63 . . . . 0.0 109.522 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.92 126.04 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.36 1.064 . . . . 0.0 109.092 -172.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.554 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 7.8 p-10 -102.99 107.39 18.17 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.543 0.611 . . . . 0.0 110.447 171.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 60.8 mt -72.47 -15.48 61.81 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.878 1.271 . . . . 0.0 111.717 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.553 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.8 t -90.7 24.27 2.76 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 124.276 1.03 . . . . 0.0 110.54 -177.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.1 p -27.43 -56.67 0.1 Allowed 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 126.331 1.852 . . . . 0.0 114.406 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 89.5 mtp -82.67 87.49 6.73 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 173.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.624 HG21 ' HG2' ' A' ' 35' ' ' LYS . 34.1 p -77.44 155.1 32.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.716 0.807 . . . . 0.0 112.078 -172.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 C-N-CA 123.901 0.88 . . . . 0.0 109.512 -177.449 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttm . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -66.99 167.41 11.82 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 121.082 0.468 . . . . 0.0 111.339 169.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.431 ' HA ' ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -168.29 -175.42 2.57 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.366 -165.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -103.92 121.64 43.53 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.855 0.862 . . . . 0.0 108.767 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -96.45 112.51 24.22 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.9 mt -102.39 119.72 51.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.521 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 27.4 p90 -133.05 -176.49 4.14 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.58 148.73 47.66 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 170.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.95 173.87 7.22 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 123.457 0.703 . . . . 0.0 109.986 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -45.44 -33.61 2.71 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 125.752 1.908 . . . . 0.0 114.163 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.458 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -72.22 2.6 5.69 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.982 0.913 . . . . 0.0 112.315 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.9 38.33 96.39 Favored Glycine 0 C--N 1.354 1.564 0 C-N-CA 123.93 0.776 . . . . 0.0 112.301 -173.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -125.72 152.84 44.77 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -92.4 132.89 36.39 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -168.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -125.55 139.52 53.53 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.756 1.623 . . . . 0.0 109.149 -173.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.505 ' HD1' ' H ' ' A' ' 31' ' ' GLY . 5.0 p90 -106.06 157.47 17.51 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 175.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -143.49 133.03 23.55 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 124.148 0.905 . . . . 0.0 110.336 157.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.473 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.1 t80 -97.44 125.85 42.34 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 176.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -96.14 -180.0 4.86 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.446 -170.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -130.03 159.94 35.19 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.73 176.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -51.6 -32.38 28.58 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.535 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 6.7 t30 -78.3 -6.5 55.22 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.091 0.556 . . . . 0.0 111.566 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.53 12.52 69.48 Favored Glycine 0 C--N 1.346 1.085 0 C-N-CA 123.001 0.334 . . . . 0.0 112.669 -172.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.535 ' HG2' ' HB3' ' A' ' 22' ' ' ASN . 23.0 mm-40 -75.63 164.63 26.1 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.731 0.812 . . . . 0.0 110.406 175.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.9 m -128.78 124.23 34.92 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 176.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.473 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -99.42 -16.7 18.29 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.596 -173.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.15 165.36 19.85 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 161.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.8 p -175.4 145.37 0.74 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.841 -174.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 p 166.72 -93.81 0.0 OUTLIER 'General case' 0 C--N 1.37 1.482 0 O-C-N 124.716 1.26 . . . . 0.0 111.684 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.38 -54.65 29.47 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -157.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.505 ' H ' ' HD1' ' A' ' 16' ' ' PHE . . . 64.99 10.89 49.01 Favored Glycine 0 N--CA 1.492 2.416 0 C-N-CA 123.245 0.45 . . . . 0.0 114.203 -168.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.1 t80 71.03 -74.88 0.08 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.661 1.984 . . . . 0.0 110.273 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -167.66 -79.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.894 0.477 . . . . 0.0 111.262 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.59 165.49 11.63 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.212 1.005 . . . . 0.0 109.651 -171.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -47.82 83.56 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 119.481 1.037 . . . . 0.0 112.794 -172.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.8 -47.88 70.37 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 121.267 0.556 . . . . 0.0 110.912 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.5 m -74.7 -24.03 58.7 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.302 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.31 -55.77 12.51 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.552 0.741 . . . . 0.0 110.165 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 mp -58.87 -47.33 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.041 0.536 . . . . 0.0 110.344 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -55.76 -38.31 69.68 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 123.87 0.731 . . . . 0.0 111.848 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -60.21 -54.84 41.07 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.471 ' HA ' HG12 ' A' ' 45' ' ' ILE . 76.3 mt -61.01 -22.38 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 122.842 0.457 . . . . 0.0 111.869 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.5 mt-10 -68.64 -34.19 75.31 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.456 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 4.3 m -55.01 -36.68 65.71 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 124.137 0.898 . . . . 0.0 112.008 171.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.604 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.5 mm -68.3 -41.47 83.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -176.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.593 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -71.44 -16.16 62.37 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 123.862 0.865 . . . . 0.0 112.403 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 15.4 mmt180 -69.9 -56.14 7.85 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.566 0.541 . . . . 0.0 111.123 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -169.2 16.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -170.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.604 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.9 t -66.37 -35.75 81.14 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 121.691 -0.631 . . . . 0.0 112.693 -176.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.59 -31.21 72.0 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.773 0.32 . . . . 0.0 111.227 172.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.75 -2.59 64.88 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.838 177.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' B' ' 3' ' ' LYS . . . -71.33 164.66 25.29 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.303 0.641 . . . . 0.0 110.648 177.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -93.44 162.24 14.06 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.029 0.532 . . . . 0.0 110.181 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.7 m -112.15 99.49 8.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.72 0.808 . . . . 0.0 108.832 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.9 t -100.23 128.94 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.423 1.089 . . . . 0.0 109.641 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -110.53 110.39 21.09 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.214 0.606 . . . . 0.0 109.615 173.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD11 ' HB3' ' B' ' 5' ' ' GLU . 42.4 mt -74.86 -32.41 61.89 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.817 1.247 . . . . 0.0 112.859 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.56 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 13.1 t -93.3 0.19 56.9 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 118.487 0.585 . . . . 0.0 112.099 -162.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.645 HG21 ' HD2' ' B' ' 35' ' ' LYS . 81.1 p -116.2 15.22 15.97 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.8 ttm -69.41 -40.75 77.12 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.533 -1.212 . . . . 0.0 109.481 169.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 59.3 m -133.25 -64.96 0.71 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.914 0.885 . . . . 0.0 109.924 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 123.89 0.876 . . . . 0.0 110.021 -174.63 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.9 ttm . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -71.89 166.63 21.72 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 121.195 0.521 . . . . 0.0 111.388 170.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.41 ' HA ' ' HB1' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -169.92 -175.08 1.96 Allowed 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.916 -166.746 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -103.68 122.29 44.73 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.841 0.857 . . . . 0.0 108.784 177.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.475 ' HB3' HD11 ' A' ' 57' ' ' LEU . 39.2 mt-10 -97.7 112.26 24.22 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.4 mt -101.96 119.19 49.9 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.56 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 23.2 p90 -132.6 -176.46 4.1 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.58 149.55 46.91 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 170.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.69 173.81 7.14 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 123.456 0.702 . . . . 0.0 109.714 178.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -45.86 -33.4 3.15 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 125.724 1.89 . . . . 0.0 114.094 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.454 ' N ' ' HD3' ' B' ' 10' ' ' LYS . . . -72.41 2.62 5.9 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.206 1.003 . . . . 0.0 112.171 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.75 37.98 95.51 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 123.603 0.62 . . . . 0.0 112.302 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.416 ' HB2' ' NH1' ' B' ' 15' ' ' ARG . 46.0 mt-10 -126.23 152.73 45.68 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -174.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.434 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 46.2 m-85 -91.4 132.19 36.37 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -169.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -123.43 138.81 54.51 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.427 1.891 . . . . 0.0 108.988 -174.32 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.646 ' HE1' ' HB1' ' B' ' 38' ' ' ALA . 11.6 m-85 -103.28 157.76 16.79 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 173.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -143.49 132.92 23.41 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.222 0.951 . . . . 0.0 110.626 155.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.47 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 14.6 t80 -96.81 126.02 41.67 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 175.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -96.59 179.46 4.99 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.341 -170.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -129.41 159.99 34.5 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.949 1.299 . . . . 0.0 108.876 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -51.6 -33.09 31.3 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.34 1.056 . . . . 0.0 113.578 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -77.31 -7.02 55.33 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.358 0.663 . . . . 0.0 112.129 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.97 11.71 69.64 Favored Glycine 0 N--CA 1.468 0.819 0 C-N-CA 122.909 0.29 . . . . 0.0 112.684 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 32.5 mt-10 -74.65 165.49 25.13 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.62 0.768 . . . . 0.0 110.449 174.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 12.8 m -129.58 124.01 32.74 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.562 ' HE1' ' HD1' ' B' ' 27' ' ' PHE . 1.6 ppp? -99.57 -15.82 18.48 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.771 -173.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.562 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 6.0 p90 -165.09 166.47 19.12 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.464 0.65 . . . . 0.0 110.899 161.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -175.24 146.91 0.86 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 113.473 -1.694 . . . . 0.0 108.383 -176.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.525 ' O ' ' HG3' ' B' ' 15' ' ' ARG . 2.2 m 165.33 -94.45 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 124.795 1.309 . . . . 0.0 111.718 178.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.656 ' HG2' ' H ' ' B' ' 32' ' ' TYR . 0.0 OUTLIER -63.33 -53.86 46.01 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -157.673 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 65.35 9.1 41.21 Favored Glycine 0 N--CA 1.478 1.487 0 N-CA-C 114.638 0.615 . . . . 0.0 114.638 -167.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.656 ' H ' ' HG2' ' B' ' 30' ' ' GLU . 63.0 t80 71.5 -75.59 0.07 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.563 1.945 . . . . 0.0 109.804 -177.165 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -167.1 -79.97 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.753 0.421 . . . . 0.0 111.617 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.93 165.32 11.67 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.083 0.953 . . . . 0.0 109.514 -172.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.645 ' HD2' HG21 ' A' ' 59' ' ' THR . 52.9 tttp -60.84 -49.09 78.87 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 119.222 0.919 . . . . 0.0 112.417 -172.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.94 -48.04 67.63 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.684 0.394 . . . . 0.0 110.784 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.0 m -75.1 -23.22 57.91 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.31 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.646 ' HB1' ' HE1' ' B' ' 16' ' ' PHE . . . -67.03 -56.53 9.71 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.903 0.881 . . . . 0.0 110.323 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.37 -47.61 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.291 0.637 . . . . 0.0 110.632 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -55.2 -38.82 68.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.757 0.661 . . . . 0.0 111.399 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -60.8 -54.62 42.92 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.481 ' HA ' HG12 ' B' ' 45' ' ' ILE . 77.5 mt -60.4 -23.16 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 80.0 mt-10 -68.3 -33.85 75.08 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 14.6 m -54.94 -37.06 65.95 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 123.913 0.758 . . . . 0.0 111.794 171.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.593 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.8 mm -68.2 -41.63 84.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -176.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.602 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -71.34 -16.63 62.44 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 124.038 0.935 . . . . 0.0 112.319 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 63.0 mtt180 -69.11 -56.58 7.27 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -169.57 17.02 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -170.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.593 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 17.7 t -66.62 -35.6 80.56 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.11 -32.05 73.33 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 120.65 0.262 . . . . 0.0 111.176 173.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.8 -1.78 67.58 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 116.027 -0.533 . . . . 0.0 113.011 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.431 ' HB1' ' HA ' ' A' ' 3' ' ' LYS . . . -71.65 164.29 26.18 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.318 0.647 . . . . 0.0 110.572 177.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -93.49 162.06 14.12 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.085 0.554 . . . . 0.0 110.009 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.7 m -112.26 99.92 8.41 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 39.1 t -100.48 128.75 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.183 0.993 . . . . 0.0 109.555 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -109.83 110.17 21.07 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.402 0.681 . . . . 0.0 109.973 173.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.75 -30.78 61.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.066 1.346 . . . . 0.0 112.7 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.521 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 8.2 t -96.87 14.84 23.92 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.541 -165.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 34.2 p -29.32 -50.63 0.1 Allowed 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 125.914 1.686 . . . . 0.0 114.587 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 79.0 mtp -87.78 73.98 9.18 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.442 0.697 . . . . 0.0 109.872 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 17.2 p -75.56 106.81 7.31 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.869 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.824 0 C-N-CA 124.223 1.009 . . . . 0.0 109.272 -172.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttp . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -66.82 156.63 35.08 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.218 0.533 . . . . 0.0 111.337 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.48 -179.11 4.76 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.611 -166.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 55.5 m-85 -103.87 117.26 33.9 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.976 -179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -94.24 113.22 25.09 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.5 mt -102.3 119.85 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.636 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 34.4 p90 -138.13 178.45 7.11 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -122.94 152.25 41.02 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 166.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.31 161.44 25.07 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -34.27 62.18 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.519 0.727 . . . . 0.0 111.194 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.56 0.62 0.3 Allowed 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 124.635 1.174 . . . . 0.0 113.768 172.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.91 20.79 69.73 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 124.536 1.065 . . . . 0.0 113.044 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -104.31 103.51 13.27 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.475 0.31 . . . . 0.0 111.438 -167.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -60.33 136.57 58.08 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.52 140.03 13.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 113.475 -1.693 . . . . 0.0 109.175 173.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -108.8 171.68 7.28 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-O 121.417 0.627 . . . . 0.0 109.989 170.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 12.5 ptp180 -148.01 167.51 24.73 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.833 174.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.509 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 12.6 t80 -118.27 132.91 56.27 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 174.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -101.07 -178.23 3.69 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.52 -173.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.13 160.07 38.93 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.517 1.127 . . . . 0.0 108.404 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.2 m -42.98 -44.11 4.49 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -89.54 -3.39 58.35 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 123.439 0.695 . . . . 0.0 111.425 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.91 22.41 8.88 Favored Glycine 0 N--CA 1.475 1.256 0 N-CA-C 114.625 0.61 . . . . 0.0 114.625 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.64 163.85 23.3 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.798 0.439 . . . . 0.0 109.91 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 m -130.47 144.45 51.41 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 172.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.509 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.8 ppp? -126.23 -22.04 4.13 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.329 0.652 . . . . 0.0 112.037 -173.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.736 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 1.4 p90 -149.82 158.51 44.24 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 117.977 0.353 . . . . 0.0 110.243 168.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -168.38 -179.13 3.82 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 125.059 1.474 . . . . 0.0 110.874 178.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 m 93.69 17.47 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.181 1.393 . . . . 0.0 113.24 156.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.701 ' HG2' ' HA ' ' B' ' 27' ' ' PHE . 11.1 tp10 -101.39 -92.96 0.3 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 123.21 0.604 . . . . 0.0 110.484 173.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.49 -20.28 38.98 Favored Glycine 0 N--CA 1.483 1.798 0 C-N-CA 123.372 0.511 . . . . 0.0 112.158 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 3.3 t80 78.92 -57.29 0.43 Allowed 'General case' 0 C--N 1.352 0.698 0 C-N-CA 126.904 2.082 . . . . 0.0 110.946 172.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -159.62 -55.39 0.06 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.683 0.793 . . . . 0.0 109.671 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -144.14 -176.2 4.92 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -177.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.525 ' O ' HD12 ' A' ' 39' ' ' ILE . 16.9 ptpt -70.1 -39.34 75.59 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.706 0.684 . . . . 0.0 110.019 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.32 88.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.285 0.634 . . . . 0.0 110.487 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.404 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 14.2 m -66.01 -27.5 68.17 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.824 175.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.11 -51.76 29.01 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.804 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 35' ' ' LYS . 4.0 mp -54.37 -53.04 33.5 Favored 'Isoleucine or valine' 0 C--N 1.374 1.646 0 CA-C-N 118.84 0.745 . . . . 0.0 109.945 175.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -57.14 -40.75 77.81 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 123.562 0.745 . . . . 0.0 111.553 -177.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -57.17 -56.56 20.19 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 173.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.7 -24.36 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 C-N-CA 123.753 0.821 . . . . 0.0 112.379 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 25.7 mm-40 -70.24 -26.9 64.06 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.756 -0.59 . . . . 0.0 110.244 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 58.3 m -54.35 -38.39 66.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 123.556 0.535 . . . . 0.0 111.727 165.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 5.8 mm -68.89 -39.55 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -176.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.607 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -70.41 -15.32 62.83 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.938 0.895 . . . . 0.0 112.51 179.663 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 31.3 mmm180 -63.44 -61.02 2.61 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 123.977 0.798 . . . . 0.0 110.971 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -173.14 19.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.608 0.568 . . . . 0.0 111.254 -173.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 20.5 t -65.14 -31.75 73.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -176.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.5 -27.38 69.1 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 120.865 0.364 . . . . 0.0 111.59 171.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.78 -0.15 55.24 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 115.784 -0.643 . . . . 0.0 113.195 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.35 166.86 20.74 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 117.338 0.569 . . . . 0.0 110.921 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -96.73 162.97 13.2 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.294 0.638 . . . . 0.0 109.749 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.7 m -115.42 99.47 7.4 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.078 0.951 . . . . 0.0 109.482 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.82 126.6 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.558 0.743 . . . . 0.0 110.021 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.424 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.8 p-10 -99.93 108.33 20.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.349 0.66 . . . . 0.0 110.006 176.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -74.08 -16.5 61.03 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.42 1.088 . . . . 0.0 111.627 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.56 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 11.4 t -97.81 32.97 2.19 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 124.801 1.24 . . . . 0.0 109.596 -178.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.6 p -33.18 -50.75 0.31 Allowed 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 124.836 1.254 . . . . 0.0 113.071 171.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.4 ttt -76.01 103.54 6.12 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 166.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.482 HG21 ' HE2' ' B' ' 35' ' ' LYS . 40.4 p -87.15 138.55 31.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.628 0.771 . . . . 0.0 111.086 -174.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 172.29 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -75.31 147.32 40.26 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.576 0.703 . . . . 0.0 110.555 166.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.96 -179.86 6.01 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 124.947 1.299 . . . . 0.0 109.434 -167.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -104.6 117.29 33.76 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.93 0.892 . . . . 0.0 109.973 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -95.14 112.97 24.61 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.441 HD11 HD12 ' B' ' 42' ' ' ILE . 61.3 mt -102.19 119.51 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.445 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.56 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 50.7 p90 -137.17 178.12 7.33 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -122.16 154.2 37.74 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 163.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.37 161.52 23.75 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -53.76 -35.75 61.6 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.695 0.798 . . . . 0.0 110.545 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.69 0.53 0.2 Allowed 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 173.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.51 21.47 69.44 Favored Glycine 0 C--N 1.361 1.96 0 C-N-CA 124.984 1.278 . . . . 0.0 112.901 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.456 ' O ' ' HD2' ' B' ' 15' ' ' ARG . 24.2 mm-40 -104.64 103.19 12.8 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.661 0.384 . . . . 0.0 110.956 -167.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -60.96 135.75 57.88 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 177.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' B' ' 13' ' ' GLU . 2.1 mpt_? -156.0 140.57 16.89 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.924 1.69 . . . . 0.0 107.997 174.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -109.47 172.63 6.74 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-O 121.404 0.621 . . . . 0.0 109.681 168.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -148.52 167.48 25.26 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.04 -1.436 . . . . 0.0 110.427 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.505 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 12.7 t80 -118.44 133.16 56.1 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 173.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -101.16 -178.21 3.68 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.48 -173.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -133.96 159.36 40.96 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.67 1.188 . . . . 0.0 108.277 175.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 65.6 p -42.52 -43.84 3.87 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -90.96 -3.14 57.52 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.692 0.397 . . . . 0.0 111.326 -174.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.36 21.65 8.7 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 114.777 0.671 . . . . 0.0 114.777 176.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 12.4 mp0 -80.33 163.58 23.8 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.952 0.501 . . . . 0.0 109.683 177.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 29.5 m -130.2 144.82 51.59 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 171.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.505 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.6 ppp? -127.13 -21.72 3.89 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.319 0.648 . . . . 0.0 112.113 -173.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.701 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 3.2 p90 -149.81 157.33 43.09 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 120.492 0.186 . . . . 0.0 110.959 167.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t -167.7 179.56 4.76 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 124.961 1.413 . . . . 0.0 110.329 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.431 ' HA ' ' HG2' ' B' ' 15' ' ' ARG . 25.2 p 94.78 19.57 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 125.763 1.625 . . . . 0.0 113.517 156.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.736 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -103.95 -94.25 0.33 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 124.504 1.121 . . . . 0.0 109.757 175.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.76 -19.49 44.78 Favored Glycine 0 C--N 1.356 1.652 0 C-N-CA 123.936 0.779 . . . . 0.0 111.785 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.5 t80 78.6 -56.95 0.45 Allowed 'General case' 0 C--N 1.354 0.795 0 C-N-CA 126.987 2.115 . . . . 0.0 111.111 172.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -159.57 -55.74 0.06 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.907 0.883 . . . . 0.0 109.55 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.418 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -144.63 -176.98 5.27 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.451 1.101 . . . . 0.0 108.077 -176.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.482 ' HE2' HG21 ' A' ' 61' ' ' THR . 0.0 OUTLIER -69.38 -40.1 77.62 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.837 0.744 . . . . 0.0 110.056 -179.436 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.1 -46.07 89.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.983 0.513 . . . . 0.0 110.557 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.418 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 18.8 m -66.31 -27.43 67.91 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.827 0.851 . . . . 0.0 110.882 175.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.26 -51.13 32.85 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.97 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.463 HD12 ' O ' ' B' ' 35' ' ' LYS . 3.6 mp -54.35 -52.69 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.846 0.748 . . . . 0.0 109.878 175.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -58.21 -40.78 82.48 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.845 0.858 . . . . 0.0 110.908 -176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -57.52 -56.07 26.64 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.441 HD12 HD11 ' B' ' 6' ' ' ILE . 77.7 mt -57.74 -24.28 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 123.804 0.842 . . . . 0.0 112.306 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' B' ' 39' ' ' ILE . 22.9 mm-40 -70.86 -26.41 63.25 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.831 -0.543 . . . . 0.0 110.356 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 27.1 m -53.95 -38.61 65.13 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 123.356 0.41 . . . . 0.0 111.8 164.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.496 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.1 mm -69.0 -39.33 79.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.609 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -70.17 -15.67 62.98 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.877 0.871 . . . . 0.0 112.355 179.603 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -63.67 -60.92 2.7 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.907 0.755 . . . . 0.0 110.981 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -172.77 19.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.449 0.468 . . . . 0.0 111.191 -173.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.496 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 21.9 t -65.01 -31.79 73.2 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.736 -0.602 . . . . 0.0 112.558 -175.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.0 -28.78 69.81 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 122.577 0.351 . . . . 0.0 111.538 171.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.69 0.82 56.7 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-O 119.487 -0.618 . . . . 0.0 113.648 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.14 166.79 20.71 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 117.415 0.608 . . . . 0.0 110.936 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -97.37 163.56 12.83 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 31.4 m -115.21 100.09 7.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.96 0.904 . . . . 0.0 109.582 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 20.9 t -106.36 125.91 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.584 0.753 . . . . 0.0 109.53 -177.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.66 109.73 22.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.02 0.528 . . . . 0.0 109.747 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 64.0 mt -76.29 -20.18 57.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.796 0.838 . . . . 0.0 112.657 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.636 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.2 t -93.27 15.88 14.49 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-O 121.134 0.492 . . . . 0.0 111.367 -171.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.9 p -89.04 -24.08 22.42 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 165.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 80.0 mtp -109.33 -179.99 3.99 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 124.431 1.092 . . . . 0.0 109.278 175.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 35.0 p -99.2 -44.72 6.15 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.328 172.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 C-N-CA 123.777 0.831 . . . . 0.0 109.425 -178.824 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.1 ttm . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.52 149.12 49.28 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.33 0.586 . . . . 0.0 110.979 171.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.23 175.37 9.32 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.051 -171.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -100.83 108.08 19.78 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.358 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -93.51 110.07 21.66 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.1 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mt -101.19 118.64 48.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -175.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.646 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 45.1 p90 -137.89 -177.56 4.87 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -127.19 156.29 42.06 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 166.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.454 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 33.0 t70 -84.95 161.35 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -48.84 -34.5 12.62 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.784 1.234 . . . . 0.0 112.953 175.594 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.462 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -73.1 9.76 1.13 Allowed 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 124.287 1.035 . . . . 0.0 112.744 175.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.87 16.32 80.49 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 124.657 1.123 . . . . 0.0 113.041 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 41.8 mt-10 -89.48 96.4 10.69 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 116.707 0.254 . . . . 0.0 111.048 -167.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.416 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 84.3 m-85 -55.6 113.9 1.64 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.564 0.697 . . . . 0.0 111.809 175.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -136.2 135.99 39.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 113.246 -1.797 . . . . 0.0 107.619 -178.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -123.38 169.7 11.08 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.098 0.475 . . . . 0.0 109.746 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -140.72 172.17 13.07 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.815 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -126.32 140.5 52.46 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 167.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -98.68 -177.58 3.71 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.152 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.86 160.27 31.43 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.849 1.259 . . . . 0.0 107.776 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -50.69 -29.18 10.57 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.482 1.113 . . . . 0.0 113.904 177.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -89.21 7.34 35.86 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.406 0.682 . . . . 0.0 111.541 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.47 32.37 47.32 Favored Glycine 0 C--N 1.346 1.087 0 C-N-CA 123.054 0.359 . . . . 0.0 113.051 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -107.13 125.23 50.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.523 0.729 . . . . 0.0 109.939 -174.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -78.6 133.54 37.28 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 170.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.417 ' HB2' ' HE2' ' A' ' 26' ' ' MET . 1.3 ppp? -116.13 -18.9 10.49 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.855 -174.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.571 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 0.1 OUTLIER -163.51 168.76 19.73 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.575 0.35 . . . . 0.0 111.602 162.659 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.9 t -176.26 -176.42 0.78 Allowed 'General case' 0 N--CA 1.471 0.601 0 O-C-N 125.013 1.446 . . . . 0.0 111.739 -170.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 m 92.99 -7.03 0.16 Allowed 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.371 1.068 . . . . 0.0 112.947 156.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.598 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 10.5 tp10 -79.99 -88.59 0.07 Allowed 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 176.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 92.74 -16.54 59.99 Favored Glycine 0 N--CA 1.477 1.374 0 CA-C-O 119.947 -0.363 . . . . 0.0 112.405 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.598 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 69.2 t80 75.63 -65.22 0.33 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.548 1.939 . . . . 0.0 111.254 176.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -150.51 -58.22 0.18 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.486 0.715 . . . . 0.0 109.851 -177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.54 -176.41 5.23 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 59.7 pttt -70.0 -41.51 74.27 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.185 0.902 . . . . 0.0 111.587 -176.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.83 87.02 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.826 0.451 . . . . 0.0 110.586 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 m -66.85 -24.46 66.15 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.143 176.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 35' ' ' LYS . . . -68.72 -43.98 74.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.568 0.747 . . . . 0.0 110.336 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.6 mp -55.69 -48.39 77.9 Favored 'Isoleucine or valine' 0 C--N 1.368 1.373 0 CA-C-O 119.179 -0.438 . . . . 0.0 110.262 172.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -56.72 -41.25 77.13 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.11 0.564 . . . . 0.0 111.274 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.9 -55.98 27.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.919 171.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -58.33 -27.56 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.783 0.833 . . . . 0.0 112.167 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 48.4 mt-10 -67.19 -29.51 69.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.671 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -56.97 -40.56 76.75 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.536 0.523 . . . . 0.0 111.589 168.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.468 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 4.3 mm -68.45 -44.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.106 -174.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 9.5 mmmm -58.41 -23.24 56.7 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 114.707 -1.133 . . . . 0.0 113.769 -176.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -66.03 -55.67 15.47 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.2 0.937 . . . . 0.0 111.861 -175.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -175.75 18.85 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 123.525 0.516 . . . . 0.0 111.518 -168.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.468 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.7 t -64.24 -32.71 74.41 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -176.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.23 -25.72 67.97 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.74 0.416 . . . . 0.0 111.924 171.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.07 -0.49 51.42 Favored Glycine 0 C--N 1.35 1.356 0 N-CA-C 114.507 0.563 . . . . 0.0 114.507 173.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.87 170.55 5.28 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.544 0.738 . . . . 0.0 111.887 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -97.33 160.3 14.41 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 121.999 -0.438 . . . . 0.0 110.221 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.404 HG23 HD13 ' B' ' 42' ' ' ILE . 25.2 m -114.8 99.07 7.22 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.427 0.691 . . . . 0.0 109.322 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 t -100.03 132.04 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.574 1.149 . . . . 0.0 109.915 -176.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -110.11 110.41 21.29 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.513 0.725 . . . . 0.0 109.563 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 57' ' ' LEU . 2.5 mm? -89.23 -17.13 29.67 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.828 1.251 . . . . 0.0 112.893 -178.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.675 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 15.3 t -97.52 -1.92 42.99 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 118.328 -0.844 . . . . 0.0 111.971 -170.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 m -27.95 85.7 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.125 0 O-C-N 125.798 1.936 . . . . 0.0 113.557 -165.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.0 ttt -82.34 84.53 7.1 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 113.742 -1.572 . . . . 0.0 110.119 -163.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.2 m -145.23 -20.65 0.49 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.976 1.311 . . . . 0.0 109.983 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.22 0 C-N-CA 123.659 0.783 . . . . 0.0 109.968 -174.481 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.67 138.68 57.6 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.331 0.586 . . . . 0.0 110.831 167.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.54 174.89 12.03 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 124.949 1.3 . . . . 0.0 109.856 -171.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.545 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 90.5 m-85 -100.71 107.91 19.64 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.187 0.995 . . . . 0.0 109.458 -177.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -93.53 110.34 21.93 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -101.31 118.31 47.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.675 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 37.1 p90 -137.59 -177.74 4.93 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -127.42 156.05 42.68 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 166.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.465 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 23.0 t70 -84.64 161.99 19.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -49.68 -35.53 21.9 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.312 1.445 . . . . 0.0 112.063 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.38 9.48 0.79 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.071 0.948 . . . . 0.0 112.837 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.86 16.76 79.26 Favored Glycine 0 C--N 1.346 1.087 0 C-N-CA 124.986 1.279 . . . . 0.0 112.803 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.465 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 22.7 mm-40 -88.3 95.65 10.27 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.001 0.52 . . . . 0.0 111.038 -168.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.405 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 70.9 m-85 -55.26 114.04 1.63 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.464 0.65 . . . . 0.0 111.865 174.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -136.88 135.74 38.09 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 125.973 1.709 . . . . 0.0 107.869 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -123.53 169.77 11.08 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.158 0.504 . . . . 0.0 109.746 172.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -141.05 172.46 12.65 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.905 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -126.33 140.34 52.59 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 167.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -97.93 -177.61 3.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.836 -1.074 . . . . 0.0 111.316 -176.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -127.25 159.88 33.0 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.744 1.217 . . . . 0.0 107.769 173.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.2 p -50.76 -28.74 9.83 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.0 7.03 36.86 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.731 0.812 . . . . 0.0 111.265 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.12 33.96 43.27 Favored Glycine 0 C--N 1.347 1.173 0 C-N-CA 123.052 0.358 . . . . 0.0 112.744 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.403 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 41.1 mt-10 -109.12 124.8 51.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.599 0.76 . . . . 0.0 109.725 -174.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -78.09 134.29 37.74 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 171.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.459 ' HB2' ' HE2' ' B' ' 26' ' ' MET . 1.4 ppp? -116.88 -18.98 10.04 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.8 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.01 167.71 22.06 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.851 0.46 . . . . 0.0 111.898 162.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -174.76 -176.09 0.98 Allowed 'General case' 0 C--O 1.241 0.629 0 O-C-N 125.029 1.456 . . . . 0.0 111.563 -171.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t 93.14 -5.05 0.14 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.85 1.26 . . . . 0.0 113.465 156.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.571 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -81.58 -90.06 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.446 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 93.25 -16.22 61.1 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 112.302 -0.319 . . . . 0.0 112.302 -176.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 32.2 t80 74.72 -65.59 0.34 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.551 1.94 . . . . 0.0 111.401 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -149.97 -58.6 0.19 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.709 0.804 . . . . 0.0 109.995 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.12 -175.93 5.02 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.428 1.091 . . . . 0.0 108.206 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' B' ' 38' ' ' ALA . 0.0 OUTLIER -70.03 -41.83 73.75 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.136 0.88 . . . . 0.0 110.993 -176.166 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.56 88.87 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.788 0.435 . . . . 0.0 110.53 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 66.5 m -66.27 -24.29 66.54 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.608 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 35' ' ' LYS . . . -68.75 -43.69 75.33 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.341 0.656 . . . . 0.0 110.376 176.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 mp -56.54 -47.86 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 118.212 0.46 . . . . 0.0 110.199 172.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -56.67 -41.21 76.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 123.543 0.527 . . . . 0.0 111.46 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.7 -55.98 27.26 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.83 171.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 54' ' ' THR . 64.0 mt -58.65 -27.39 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.434 0.694 . . . . 0.0 112.06 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.4 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 45.4 mt-10 -66.92 -29.41 69.28 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.819 0.448 . . . . 0.0 110.67 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.8 m -57.97 -40.09 79.74 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.658 0.599 . . . . 0.0 111.515 169.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.545 HG21 ' HZ ' ' B' ' 4' ' ' PHE . 4.5 mm -68.55 -44.51 82.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -174.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.4 mmmm -59.58 -23.37 62.88 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 114.722 -1.126 . . . . 0.0 113.215 -175.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -64.36 -55.82 18.55 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.322 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -176.28 18.55 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 122.986 0.514 . . . . 0.0 111.648 -167.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.462 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.4 t -64.97 -32.66 74.49 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 121.527 -0.733 . . . . 0.0 112.421 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.7 -24.9 67.9 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 122.799 0.44 . . . . 0.0 111.743 171.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.08 -1.08 51.48 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 114.504 0.562 . . . . 0.0 114.504 173.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.95 170.63 5.27 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.659 0.784 . . . . 0.0 111.745 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.92 160.58 14.21 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 122.014 -0.429 . . . . 0.0 110.395 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 26.3 m -114.97 99.32 7.37 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.545 0.738 . . . . 0.0 109.433 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.1 t -100.3 131.92 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.774 1.23 . . . . 0.0 109.709 -176.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -109.74 109.93 20.78 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.733 0.813 . . . . 0.0 109.724 176.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.421 HD22 ' N ' ' B' ' 57' ' ' LEU . 2.6 mm? -89.02 -18.31 27.61 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.962 1.305 . . . . 0.0 112.883 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.646 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 7.8 t -80.54 16.94 1.2 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.954 0.407 . . . . 0.0 111.973 -172.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 64.0 p -74.69 -36.07 62.76 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 167.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 17.0 tpt -96.17 95.26 8.02 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.007 0.923 . . . . 0.0 109.226 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 21.8 p -136.09 118.22 15.46 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.418 1.087 . . . . 0.0 109.382 176.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.185 0 C-N-CA 123.97 0.908 . . . . 0.0 108.871 -177.461 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.558 0.218 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -67.4 165.77 15.88 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.545 0.738 . . . . 0.0 112.714 173.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.19 179.34 7.99 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.916 -167.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -100.51 124.9 46.67 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 124.189 0.996 . . . . 0.0 109.086 177.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -101.23 104.53 15.58 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.748 0.419 . . . . 0.0 110.381 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.5 mt -95.32 126.65 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.544 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 13.4 p90 -154.25 -174.02 4.8 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -127.31 164.39 21.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 165.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -113.33 176.19 5.13 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -39.14 -39.37 0.58 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 127.305 2.242 . . . . 0.0 114.245 -173.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.4 8.56 3.33 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.56 25.14 71.4 Favored Glycine 0 C--N 1.357 1.737 0 C-N-CA 124.1 0.857 . . . . 0.0 112.124 -174.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -98.6 123.88 43.05 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -172.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -83.0 128.03 34.1 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -173.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.19 137.46 30.83 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 114.421 -1.263 . . . . 0.0 108.88 176.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -106.96 161.12 15.01 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.233 0.54 . . . . 0.0 110.007 169.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.508 ' HG3' ' HE1' ' A' ' 7' ' ' TYR . 59.0 mtp180 -113.71 164.9 13.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.136 1.374 . . . . 0.0 107.913 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.552 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 17.2 t80 -124.97 127.19 46.65 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 156.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -98.46 -179.4 4.32 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.155 -171.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.93 158.36 39.74 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.579 1.152 . . . . 0.0 108.636 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.8 p -46.03 -39.24 8.88 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -88.79 1.13 55.76 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.235 0.614 . . . . 0.0 111.57 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.18 23.38 32.27 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 123.235 0.445 . . . . 0.0 113.988 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -83.24 154.63 24.09 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 173.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.9 m -110.78 138.69 46.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 168.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.552 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.7 ppp? -115.62 -31.91 5.7 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.374 0.67 . . . . 0.0 111.003 -175.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.482 ' N ' ' SD ' ' A' ' 26' ' ' MET . 1.3 p90 -143.69 159.77 41.89 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.526 0.679 . . . . 0.0 109.491 165.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.3 p -170.53 -177.86 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.464 -1.698 . . . . 0.0 109.782 176.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t 68.3 39.05 2.37 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.223 0.609 . . . . 0.0 112.027 156.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -72.57 -33.07 66.51 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.729 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.67 52.47 42.49 Favored Glycine 0 C--N 1.359 1.827 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -71.08 -65.94 0.68 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.403 0.281 . . . . 0.0 110.391 -162.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -167.73 -71.05 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.035 0.445 . . . . 0.0 110.381 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -140.17 179.78 6.43 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.78 0.832 . . . . 0.0 109.727 -172.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.493 ' NZ ' HG23 ' B' ' 58' ' ' THR . 17.7 ttmm -65.59 -50.4 65.24 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.459 0.572 . . . . 0.0 111.004 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.31 81.32 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.898 0.479 . . . . 0.0 111.018 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 15.4 m -66.22 -35.62 80.92 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.794 176.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.32 77.43 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 123.709 0.804 . . . . 0.0 110.788 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -56.06 -48.2 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.271 0.628 . . . . 0.0 111.58 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -59.04 -38.54 79.57 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 123.528 0.518 . . . . 0.0 111.183 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' HB1' ' HE2' ' B' ' 26' ' ' MET . . . -59.17 -57.45 12.99 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.008 172.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.17 -26.59 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.032 0.533 . . . . 0.0 111.707 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 36.6 mt-10 -64.86 -34.28 78.01 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-O 119.047 -0.501 . . . . 0.0 110.14 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 33.5 m -53.33 -40.3 64.75 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 124.103 0.877 . . . . 0.0 111.749 171.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.549 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.5 mm -67.45 -44.34 86.9 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -175.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.557 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 8.4 mmmm -61.66 -29.44 70.07 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.206 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.9 mmt180 -62.49 -52.8 62.05 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 124.256 0.972 . . . . 0.0 112.226 -174.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -171.99 15.74 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -168.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.549 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 17.4 t -67.58 -36.12 80.31 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.513 -0.742 . . . . 0.0 112.992 -172.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.555 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.05 -27.88 69.21 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 122.507 0.323 . . . . 0.0 111.598 173.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.69 -3.34 56.19 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-O 119.457 -0.635 . . . . 0.0 113.953 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.44 164.83 15.51 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.771 0.829 . . . . 0.0 111.376 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -90.53 157.13 17.69 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.484 0.313 . . . . 0.0 110.359 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 m -115.08 99.77 7.68 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.673 0.789 . . . . 0.0 109.67 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 81.3 t -104.13 130.6 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.026 1.33 . . . . 0.0 110.426 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.523 ' HB3' ' HG2' ' A' ' 60' ' ' MET . 16.9 t70 -109.65 123.19 49.04 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.283 0.563 . . . . 0.0 111.068 174.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 57' ' ' LEU . 2.3 mm? -94.67 -21.83 18.54 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.827 1.251 . . . . 0.0 113.008 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.621 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 13.1 t -88.99 -15.55 33.9 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 119.239 0.927 . . . . 0.0 112.805 -167.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.5 p -145.13 -92.58 0.1 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 118.241 -0.885 . . . . 0.0 109.533 -173.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.523 ' HG2' ' HB3' ' A' ' 56' ' ' ASP . 15.9 mmt 44.28 -84.95 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 125.098 1.359 . . . . 0.0 114.196 -176.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.9 p -68.02 122.58 18.54 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 123.965 0.906 . . . . 0.0 111.713 -170.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 C-N-CA 123.59 0.756 . . . . 0.0 110.212 177.563 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.0 ttm . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -151.24 170.92 18.31 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.455 0.702 . . . . 0.0 111.284 174.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -165.31 179.44 6.23 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.672 -167.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.445 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 96.2 m-85 -100.21 124.6 45.84 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.453 1.101 . . . . 0.0 109.063 177.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -101.14 104.49 15.58 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.097 0.559 . . . . 0.0 110.203 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 14.4 mt -95.92 126.64 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.621 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 47.4 p90 -153.96 -174.37 4.93 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.125 0.488 . . . . 0.0 109.771 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -126.79 164.16 21.98 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 164.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.75 177.93 4.49 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -41.13 -38.95 1.15 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 127.03 2.132 . . . . 0.0 113.827 -174.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.58 7.66 4.32 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.436 0.694 . . . . 0.0 112.793 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.64 25.32 72.83 Favored Glycine 0 C--N 1.355 1.604 0 C-N-CA 124.022 0.82 . . . . 0.0 112.471 -174.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -100.72 112.77 25.24 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -66.64 125.36 25.56 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.601 ' HB3' ' HA ' ' B' ' 29' ' ' SER . 0.7 OUTLIER -140.46 137.28 33.78 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.715 176.393 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -107.27 161.36 14.86 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 120.998 0.427 . . . . 0.0 110.157 167.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.6 ' HG3' ' HE1' ' B' ' 7' ' ' TYR . 60.7 mtt180 -113.5 165.39 12.53 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.933 1.293 . . . . 0.0 108.463 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.547 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.8 t80 -125.25 127.28 46.48 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 157.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -98.45 -179.16 4.25 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.336 -171.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.15 158.46 39.62 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.601 -1.182 . . . . 0.0 108.43 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.1 m -46.47 -38.72 9.58 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 124.94 1.296 . . . . 0.0 114.479 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.416 HD21 ' HG2' ' B' ' 24' ' ' GLU . 1.4 p-10 -90.28 1.78 56.15 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 122.704 0.401 . . . . 0.0 111.791 -176.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.39 22.03 33.12 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 114.189 0.436 . . . . 0.0 114.189 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.416 ' HG2' HD21 ' B' ' 22' ' ' ASN . 50.8 mm-40 -83.0 154.51 24.43 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.71 0.404 . . . . 0.0 110.115 172.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 34.1 m -110.35 138.03 47.28 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 168.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.547 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.8 ppp? -114.88 -31.85 5.97 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.159 0.584 . . . . 0.0 111.079 -175.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.466 ' N ' ' SD ' ' B' ' 26' ' ' MET . 1.3 p90 -143.75 159.67 42.09 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.416 0.627 . . . . 0.0 109.523 165.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.425 ' HB3' ' HG2' ' B' ' 17' ' ' ARG . 71.5 p -170.3 -177.7 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 113.504 -1.68 . . . . 0.0 109.745 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.601 ' HA ' ' HB3' ' B' ' 15' ' ' ARG . 17.4 m 67.8 38.72 2.83 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.177 155.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.22 -32.72 67.0 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.653 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.61 51.94 47.4 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -70.86 -65.82 0.69 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 122.346 0.259 . . . . 0.0 110.371 -162.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -167.73 -71.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.593 0.357 . . . . 0.0 110.603 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.413 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -139.62 179.75 6.38 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.617 0.767 . . . . 0.0 109.597 -172.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -64.15 -51.42 63.96 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.317 0.647 . . . . 0.0 111.234 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.67 81.34 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.28 0.632 . . . . 0.0 110.964 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.413 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 13.6 m -66.95 -35.71 80.58 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.533 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.47 80.41 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.526 0.731 . . . . 0.0 110.692 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.51 -47.82 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.369 0.668 . . . . 0.0 111.33 174.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -58.34 -39.14 78.67 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 123.598 0.561 . . . . 0.0 111.288 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -58.88 -57.89 11.04 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.956 172.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.425 HG22 ' HD3' ' B' ' 46' ' ' LYS . 63.8 mt -56.39 -27.44 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.358 0.663 . . . . 0.0 111.653 178.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 41.8 mt-10 -64.21 -34.74 78.79 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 118.866 -0.587 . . . . 0.0 109.869 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 16.5 m -53.2 -40.16 64.23 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 124.06 0.85 . . . . 0.0 111.773 171.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.7 mm -67.45 -44.24 86.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -175.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.6 mmmm -62.81 -28.64 70.14 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.812 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 32.7 mmt180 -62.27 -53.38 55.98 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.924 0.765 . . . . 0.0 111.714 -174.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -171.51 15.53 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -168.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.568 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 12.7 t -67.24 -35.77 80.24 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.328 -0.857 . . . . 0.0 113.016 -172.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.24 -27.63 69.13 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 122.582 0.353 . . . . 0.0 111.785 173.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.96 -3.76 55.76 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-O 119.606 -0.552 . . . . 0.0 113.871 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.41 165.05 15.0 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.714 0.806 . . . . 0.0 111.402 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.43 157.87 16.82 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 39.2 m -115.5 100.17 7.88 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.643 0.777 . . . . 0.0 109.417 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 87.2 t -104.18 130.72 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.801 1.241 . . . . 0.0 110.414 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -109.19 122.03 46.43 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.542 0.737 . . . . 0.0 110.755 174.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.414 HD22 ' N ' ' B' ' 57' ' ' LEU . 2.5 mm? -94.34 -21.71 18.81 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.892 1.277 . . . . 0.0 112.852 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.544 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 10.3 t -85.92 -4.43 59.16 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 118.412 0.551 . . . . 0.0 111.525 -170.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 47.0 p 33.31 -77.72 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 127.084 2.154 . . . . 0.0 115.083 -177.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -67.26 164.38 18.44 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.193 0.597 . . . . 0.0 111.003 175.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 44.0 p -109.48 145.66 35.86 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.37 0.668 . . . . 0.0 110.17 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 C-N-CA 123.67 0.788 . . . . 0.0 109.183 178.384 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.52 167.95 9.95 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.311 0.577 . . . . 0.0 111.681 171.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.7 OUTLIER -162.88 178.38 8.45 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.216 -170.782 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.429 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 91.2 m-85 -99.09 121.73 41.37 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 114.821 -1.082 . . . . 0.0 108.84 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -95.93 110.84 22.98 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mt -100.99 121.99 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.661 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 35.2 p90 -143.07 -178.42 5.83 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.122 0.486 . . . . 0.0 109.766 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.508 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 5.9 pt20 -121.84 150.0 42.55 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.21 -1.034 . . . . 0.0 108.21 166.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -84.06 161.02 20.83 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 177.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -52.93 -35.42 58.47 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.608 1.163 . . . . 0.0 111.829 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.17 6.37 0.56 Allowed 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 123.71 0.804 . . . . 0.0 113.011 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.42 17.5 77.76 Favored Glycine 0 C--N 1.349 1.277 0 C-N-CA 125.061 1.315 . . . . 0.0 113.195 -176.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 41.0 mt-10 -96.49 98.7 10.44 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -170.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 96.0 m-85 -51.19 114.47 1.21 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.701 0.8 . . . . 0.0 112.695 176.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 17.6 mmt180 -128.53 134.5 48.68 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 113.308 -1.769 . . . . 0.0 108.379 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -118.93 164.75 14.99 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.125 0.488 . . . . 0.0 109.917 170.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -142.21 170.73 15.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.398 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.518 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.6 t80 -124.79 135.02 52.59 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 173.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -101.47 -178.92 3.87 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.444 -173.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.78 154.95 47.46 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.012 -1.449 . . . . 0.0 107.85 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.6 p -47.75 -25.29 1.19 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -176.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -99.95 11.79 38.41 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.189 0.596 . . . . 0.0 111.658 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.44 16.79 72.83 Favored Glycine 0 N--CA 1.471 1.023 0 N-CA-C 114.616 0.606 . . . . 0.0 114.616 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -85.03 152.18 23.62 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.896 0.478 . . . . 0.0 110.228 175.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.5 m -108.39 147.1 32.05 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.439 0.696 . . . . 0.0 109.384 172.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.518 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 2.0 ppp? -122.02 -32.23 3.75 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.814 0.846 . . . . 0.0 112.058 -176.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.441 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 2.1 p90 -142.29 155.44 45.21 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 167.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.416 ' H ' ' HB3' ' B' ' 30' ' ' GLU . 49.2 m -154.24 176.88 11.75 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.67 1.188 . . . . 0.0 110.241 176.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.472 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 49.7 m 62.36 49.29 4.26 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 150.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HB3' ' H ' ' B' ' 28' ' ' SER . 0.0 OUTLIER -68.26 -42.75 79.19 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.195 170.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.37 53.9 36.04 Favored Glycine 0 C--N 1.354 1.574 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -75.07 -59.33 2.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.426 0.29 . . . . 0.0 110.225 -166.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -167.01 -65.04 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 120.838 0.351 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.04 179.15 8.73 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.574 0.75 . . . . 0.0 109.457 -171.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -43.45 75.39 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.729 0.412 . . . . 0.0 110.659 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.8 -42.31 79.28 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.336 0.589 . . . . 0.0 110.311 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 m -69.84 -29.22 66.43 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.788 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.86 63.5 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 123.633 0.773 . . . . 0.0 110.47 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -55.48 -50.7 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.255 0.622 . . . . 0.0 110.668 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -57.78 -39.85 78.43 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 123.633 0.583 . . . . 0.0 111.746 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -58.46 -57.34 13.39 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.736 172.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.91 -26.46 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.684 0.794 . . . . 0.0 111.959 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.56 -31.67 72.52 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 119.309 -0.377 . . . . 0.0 110.491 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 19.9 m -53.66 -39.56 65.17 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 123.52 0.512 . . . . 0.0 111.612 168.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.553 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.6 mm -71.02 -45.66 71.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.135 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.8 mmmm -59.06 -30.69 68.24 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.386 1.074 . . . . 0.0 112.254 -178.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -58.44 -69.42 0.19 Allowed 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.885 -1.507 . . . . 0.0 112.654 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -157.79 16.47 0.24 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -171.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.553 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 13.7 t -66.22 -32.62 74.15 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -172.031 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -60.66 -31.3 70.53 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.791 0.436 . . . . 0.0 111.944 171.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.28 -0.56 55.8 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-O 119.573 -0.57 . . . . 0.0 113.853 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.16 165.54 9.11 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.789 0.836 . . . . 0.0 111.453 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.569 ' HB2' ' HB3' ' B' ' 3' ' ' LYS . 6.2 m-20 -89.18 160.38 17.0 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.5 m -121.23 99.26 6.39 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 121.427 0.632 . . . . 0.0 109.837 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.6 t -100.43 127.07 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.061 1.344 . . . . 0.0 110.071 -175.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.6 t70 -108.09 122.5 47.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.563 0.745 . . . . 0.0 110.413 177.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -100.88 -14.09 18.09 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 124.823 1.249 . . . . 0.0 112.832 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.679 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.7 t -91.23 -10.06 42.97 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -170.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 p -70.71 -12.64 61.68 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 119.017 0.826 . . . . 0.0 111.861 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.529 ' HG3' HG23 ' A' ' 61' ' ' THR . 22.6 ptp -75.56 -30.24 59.64 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.17 0.588 . . . . 0.0 111.324 173.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.529 HG23 ' HG3' ' A' ' 60' ' ' MET . 37.3 p -97.44 -53.41 3.46 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.861 0.864 . . . . 0.0 110.591 -175.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 C-N-CA 124.272 1.029 . . . . 0.0 109.517 179.88 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.0 168.44 27.12 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.246 1.018 . . . . 0.0 109.465 175.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.569 ' HB3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -164.37 178.52 7.42 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.979 -168.304 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.444 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 95.5 m-85 -98.68 120.8 39.73 Favored 'General case' 0 C--O 1.228 -0.06 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.829 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -95.09 110.6 22.51 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.401 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 24.3 mt -100.49 122.4 52.41 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.679 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 39.6 p90 -142.76 -178.42 5.79 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.144 0.497 . . . . 0.0 109.819 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' B' ' 14' ' ' TYR . 11.0 pt20 -121.83 150.24 42.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 165.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.617 ' HB2' ' HD2' ' B' ' 15' ' ' ARG . 29.6 t70 -84.2 161.28 20.6 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 124.232 1.013 . . . . 0.0 108.567 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -34.32 58.8 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.471 1.108 . . . . 0.0 112.157 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.59 6.42 0.64 Allowed 'General case' 0 CA--C 1.566 1.581 0 C-N-CA 124.168 0.987 . . . . 0.0 113.132 172.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.497 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 72.23 17.49 77.46 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 124.82 1.2 . . . . 0.0 113.13 -176.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -96.7 99.0 10.62 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -170.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.519 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 93.2 m-85 -51.91 114.55 1.33 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.901 0.858 . . . . 0.0 112.753 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.617 ' HD2' ' HB2' ' B' ' 9' ' ' ASP . 93.7 mtt180 -129.69 134.34 47.59 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 113.314 -1.766 . . . . 0.0 109.283 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -118.59 164.17 15.72 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.483 0.658 . . . . 0.0 109.806 171.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -141.89 171.05 14.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.595 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.541 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.3 t80 -124.84 134.89 52.57 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 173.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -101.08 -179.2 3.97 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.372 -173.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.1 155.17 47.41 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.332 1.453 . . . . 0.0 107.77 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -48.24 -25.42 1.52 Allowed 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 -176.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -100.02 13.09 35.17 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.47 0.708 . . . . 0.0 112.447 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.44 16.72 75.31 Favored Glycine 0 N--CA 1.473 1.113 0 N-CA-C 114.324 0.49 . . . . 0.0 114.324 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -84.42 152.43 24.03 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.037 0.535 . . . . 0.0 110.479 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 53.2 m -108.8 147.47 32.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.502 0.721 . . . . 0.0 109.292 172.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.541 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.9 ppp? -122.45 -32.54 3.6 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.707 0.803 . . . . 0.0 111.721 -176.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.429 ' N ' ' SD ' ' B' ' 26' ' ' MET . 2.0 p90 -141.7 155.98 45.64 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 167.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.425 ' H ' ' HB3' ' A' ' 30' ' ' GLU . 66.9 p -155.32 176.76 12.16 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 124.685 1.241 . . . . 0.0 110.462 176.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.7 t 62.94 48.86 3.75 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 150.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -67.68 -42.53 81.95 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.23 170.613 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.85 53.42 37.83 Favored Glycine 0 C--N 1.354 1.537 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -176.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -74.94 -59.13 2.87 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.624 0.37 . . . . 0.0 110.308 -166.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -167.34 -65.03 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.784 0.434 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.64 178.58 9.45 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.625 0.77 . . . . 0.0 109.647 -171.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -70.09 -41.13 74.46 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 118.189 0.449 . . . . 0.0 111.073 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.44 81.67 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.108 0.48 . . . . 0.0 110.433 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 m -69.43 -29.34 67.03 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.877 177.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.11 -48.94 64.07 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 123.739 0.816 . . . . 0.0 110.485 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -55.65 -50.65 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.056 0.542 . . . . 0.0 110.938 173.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -58.05 -39.81 79.37 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 123.708 0.63 . . . . 0.0 111.241 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.31 -57.45 12.85 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.794 172.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.438 HG22 ' HD3' ' B' ' 46' ' ' LYS . 84.2 mt -56.75 -26.6 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.774 0.829 . . . . 0.0 111.837 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 39.5 mt-10 -66.22 -32.05 73.25 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-O 118.975 -0.536 . . . . 0.0 110.675 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 42.1 m -53.68 -39.37 65.07 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 123.943 0.777 . . . . 0.0 111.472 169.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.553 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.4 mm -70.95 -45.46 72.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.273 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.541 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.7 mmmm -59.99 -30.31 69.04 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.326 1.05 . . . . 0.0 111.69 -177.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 25.5 mmm180 -58.27 -70.29 0.15 Allowed 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 114.062 -1.427 . . . . 0.0 112.196 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -156.43 15.71 0.32 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 122.882 0.473 . . . . 0.0 111.931 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.553 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 12.4 t -66.5 -32.29 73.56 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -171.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -60.46 -31.54 70.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.885 0.474 . . . . 0.0 111.863 171.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.9 0.43 55.12 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-O 119.497 -0.613 . . . . 0.0 114.007 175.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.24 165.17 9.82 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.826 0.85 . . . . 0.0 111.336 176.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 13.2 t70 -89.58 161.02 16.38 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -121.07 99.08 6.29 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 121.242 0.544 . . . . 0.0 109.824 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 79.7 t -99.75 127.38 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.118 1.367 . . . . 0.0 110.183 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -108.15 122.2 46.41 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.465 0.706 . . . . 0.0 110.323 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -100.82 -16.45 17.28 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.698 1.199 . . . . 0.0 112.642 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.661 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.9 t -84.83 -14.8 46.9 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 118.624 0.647 . . . . 0.0 112.509 -170.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.47 HG23 HG23 ' B' ' 58' ' ' THR . 31.1 p -128.72 -22.74 3.23 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.832 0.453 . . . . 0.0 110.188 -177.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 57.2 ttp -92.47 107.17 19.02 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 77.8 p 50.84 101.16 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.183 1.793 . . . . 0.0 113.562 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 C-N-CA 124.063 0.945 . . . . 0.0 108.971 -176.268 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttm . . . . . 0 N--CA 1.483 1.189 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.88 162.82 29.39 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.427 1.091 . . . . 0.0 109.517 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -162.77 175.28 11.45 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.789 -176.646 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -99.55 117.27 33.58 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.156 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -96.09 108.68 21.14 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 26.4 mt -99.72 122.82 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -176.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.605 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 50.1 p90 -138.45 -178.49 5.32 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 122.825 0.45 . . . . 0.0 109.959 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -127.05 152.74 46.87 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 167.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.568 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 27.3 t70 -100.23 179.81 4.36 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-O 118.591 -0.719 . . . . 0.0 109.632 -178.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -48.66 -36.8 16.8 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 125.639 1.576 . . . . 0.0 112.991 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.614 ' HB3' ' HG3' ' A' ' 13' ' ' GLU . . . -87.3 16.71 4.99 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.437 0.695 . . . . 0.0 111.224 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.26 21.71 77.31 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.442 -173.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.614 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 48.4 mt-10 -78.71 90.34 4.61 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.806 0.303 . . . . 0.0 110.643 -167.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -50.55 104.21 0.07 Allowed 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 122.639 1.209 . . . . 0.0 112.011 170.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -132.72 134.14 44.4 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 111.719 -2.491 . . . . 0.0 108.3 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -113.93 169.05 9.28 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.671 0.748 . . . . 0.0 109.95 171.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -142.04 169.54 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.175 -1.375 . . . . 0.0 110.109 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.435 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 23.1 t80 -126.84 140.89 52.02 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -95.68 -179.04 4.59 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.226 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.74 159.7 36.5 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.066 0.946 . . . . 0.0 108.682 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.3 m -55.37 -25.0 32.74 Favored 'General case' 0 CA--C 1.559 1.309 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -80.88 -12.82 59.35 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 123.325 0.65 . . . . 0.0 111.48 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.93 64.67 1.65 Allowed Glycine 0 C--N 1.341 0.853 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 -174.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -148.57 153.67 38.69 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.899 0.88 . . . . 0.0 109.066 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.9 m -89.85 136.12 33.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.413 0.625 . . . . 0.0 109.708 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.435 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.8 ppp? -115.92 -25.68 7.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 114.594 -1.184 . . . . 0.0 112.172 -174.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.414 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 2.0 p90 -147.8 160.79 42.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 167.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.441 ' H ' ' HB3' ' B' ' 30' ' ' GLU . 67.8 p -166.26 -178.74 4.7 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.954 1.409 . . . . 0.0 110.123 177.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.2 m 62.85 35.03 13.9 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.004 0.922 . . . . 0.0 113.06 154.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' HB3' ' H ' ' B' ' 28' ' ' SER . 0.0 OUTLIER -58.38 -42.04 86.15 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.954 165.838 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.2 53.1 42.32 Favored Glycine 0 C--N 1.359 1.815 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -72.84 -57.16 4.28 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.575 0.221 . . . . 0.0 111.33 -162.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -168.38 -75.56 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.646 0.379 . . . . 0.0 110.987 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.5 -177.91 6.24 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.9 0.88 . . . . 0.0 108.823 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' NZ ' HG23 ' B' ' 58' ' ' THR . 17.7 ttmm -62.97 -46.27 88.5 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.162 0.892 . . . . 0.0 111.479 -175.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.4 -44.92 72.76 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.543 0.737 . . . . 0.0 110.972 177.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.2 m -72.52 -25.85 61.54 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.388 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.25 -54.5 17.19 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 123.292 0.637 . . . . 0.0 109.834 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.82 -48.39 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.682 0.793 . . . . 0.0 110.758 172.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -59.23 -42.0 90.02 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.344 0.658 . . . . 0.0 111.816 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -59.67 -53.14 61.43 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.412 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 90.6 mt -56.59 -28.46 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 C-N-CA 123.449 0.7 . . . . 0.0 111.675 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 10.4 mm-40 -64.79 -32.34 73.98 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 118.928 -0.558 . . . . 0.0 110.763 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 7.6 m -53.73 -40.46 66.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 123.698 0.624 . . . . 0.0 111.276 169.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.471 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 2.9 mm -70.95 -46.5 67.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -175.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.501 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.5 mmmm -60.45 -21.66 62.57 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.302 1.041 . . . . 0.0 113.327 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 39.4 mmt-85 -60.84 -71.78 0.13 Allowed 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.195 0.934 . . . . 0.0 111.408 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -162.67 22.59 0.1 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.316 0.646 . . . . 0.0 109.635 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.471 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 27.1 t -61.87 -27.94 69.15 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -173.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -61.57 -32.17 72.25 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 122.514 0.326 . . . . 0.0 111.479 170.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 2.63 58.25 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.626 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.45 178.37 0.56 Allowed 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.774 0.787 . . . . 0.0 111.876 174.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -107.17 157.33 17.95 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.929 0.492 . . . . 0.0 109.724 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 m -119.66 110.63 17.07 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.391 0.676 . . . . 0.0 109.903 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -110.09 130.84 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.002 1.321 . . . . 0.0 110.1 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 11.7 t70 -107.82 112.74 25.53 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 122.805 0.442 . . . . 0.0 110.449 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.29 -22.19 28.68 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.025 1.33 . . . . 0.0 112.47 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.644 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 11.6 t -92.54 8.84 37.08 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.015 0.436 . . . . 0.0 112.171 -171.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -78.57 -23.25 46.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.968 0.507 . . . . 0.0 110.056 169.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.9 ttt -73.91 -47.02 40.84 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.507 0.504 . . . . 0.0 110.048 173.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.4 p -78.79 156.0 28.99 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.197 0.599 . . . . 0.0 110.637 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.45 ' O ' ' HA ' ' B' ' 21' ' ' SER . 42.1 ttm . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.33 171.32 7.93 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.422 1.089 . . . . 0.0 110.112 -179.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.68 176.1 7.44 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.339 0.656 . . . . 0.0 111.232 -178.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -99.59 117.39 33.86 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.3 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -95.93 107.9 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.423 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 29.9 mt -99.49 123.04 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -176.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.644 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 44.6 p90 -138.79 -179.2 5.68 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 122.859 0.464 . . . . 0.0 109.978 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -126.7 152.19 47.12 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 167.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -100.36 -179.36 4.09 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.724 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -36.52 14.14 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 125.443 1.497 . . . . 0.0 113.462 -175.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.655 ' HB3' ' HG3' ' B' ' 13' ' ' GLU . . . -89.15 17.45 5.92 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.849 -177.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.66 22.46 76.73 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.654 -173.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.655 ' HG3' ' HB3' ' B' ' 11' ' ' ALA . 42.2 mt-10 -78.78 93.12 4.91 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.422 0.289 . . . . 0.0 110.663 -167.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -54.63 105.09 0.13 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 122.489 1.138 . . . . 0.0 112.024 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -132.85 134.13 44.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 112.142 -2.299 . . . . 0.0 108.226 -176.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -113.96 168.82 9.48 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-O 121.657 0.742 . . . . 0.0 110.048 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -141.37 169.77 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.098 -1.41 . . . . 0.0 110.093 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.458 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 24.0 t80 -126.9 140.76 52.1 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 173.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -95.53 -179.42 4.75 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.284 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.78 159.78 36.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.899 0.88 . . . . 0.0 108.678 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' B' ' 1' ' ' MET . 19.1 m -55.47 -24.66 32.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -81.91 -11.52 58.86 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.037 0.535 . . . . 0.0 111.747 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.51 65.31 1.68 Allowed Glycine 0 C--N 1.342 0.869 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.943 -174.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -146.46 155.58 42.65 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 172.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.9 m -90.75 136.77 32.85 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.367 0.603 . . . . 0.0 109.757 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.458 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.8 ppp? -116.24 -26.24 7.27 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.061 -174.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.404 ' HD2' ' SD ' ' B' ' 26' ' ' MET . 1.8 p90 -147.18 160.9 41.9 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 167.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' A' ' 30' ' ' GLU . 88.5 p -165.85 -177.96 4.53 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.918 1.386 . . . . 0.0 110.127 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 91.5 p 62.21 35.06 15.69 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.176 0.991 . . . . 0.0 113.125 153.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.441 ' HB3' ' H ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -58.9 -41.65 87.74 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.935 166.147 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.33 53.38 39.83 Favored Glycine 0 C--N 1.359 1.861 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -73.21 -56.66 4.79 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 122.147 0.179 . . . . 0.0 111.33 -162.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -168.85 -75.31 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.653 0.381 . . . . 0.0 110.918 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.07 -177.76 6.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.047 0.939 . . . . 0.0 108.968 -175.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -45.11 93.5 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.209 0.913 . . . . 0.0 111.416 -175.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.55 81.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.208 0.603 . . . . 0.0 110.638 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 51.0 m -71.62 -26.2 62.47 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.439 0.695 . . . . 0.0 111.518 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.25 -54.75 15.47 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.144 0.578 . . . . 0.0 109.773 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.47 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.2 mp -53.07 -48.67 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.766 0.826 . . . . 0.0 110.745 172.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -60.2 -41.08 92.24 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.416 0.686 . . . . 0.0 112.127 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.411 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -59.83 -53.42 58.19 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.406 HG22 ' HD3' ' B' ' 46' ' ' LYS . 89.6 mt -56.04 -28.39 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 123.416 0.686 . . . . 0.0 111.743 176.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 50.1 mt-10 -65.62 -31.79 73.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 119.456 -0.307 . . . . 0.0 110.502 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 32.0 m -54.06 -40.1 66.84 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 120.947 0.403 . . . . 0.0 111.06 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.471 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 2.6 mm -71.1 -46.46 66.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.736 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.0 mmmm -61.56 -20.89 63.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.081 0.952 . . . . 0.0 112.885 -176.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 15.8 mmm180 -60.38 -72.17 0.12 Allowed 'General case' 0 CA--C 1.549 0.941 0 O-C-N 124.142 0.901 . . . . 0.0 111.393 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -162.85 22.94 0.09 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.628 0.771 . . . . 0.0 109.413 -174.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.471 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.1 t -61.5 -28.16 69.11 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -174.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -61.18 -32.52 72.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.668 0.387 . . . . 0.0 111.431 170.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.87 2.65 58.44 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 113.723 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.34 178.01 0.59 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.629 0.771 . . . . 0.0 111.988 174.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.458 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 37.2 t70 -106.77 157.14 17.96 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.751 0.42 . . . . 0.0 110.013 177.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -119.09 110.59 17.25 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.236 0.614 . . . . 0.0 109.89 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -110.09 131.04 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 124.809 1.244 . . . . 0.0 110.29 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 18.6 t70 -107.4 112.18 24.86 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.223 0.609 . . . . 0.0 110.517 176.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 48.2 mt -85.19 -24.4 27.91 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.744 1.218 . . . . 0.0 113.134 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.605 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 7.3 t -83.5 7.87 15.73 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 118.393 0.542 . . . . 0.0 112.212 -169.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -19.73 62.73 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 123.243 0.617 . . . . 0.0 111.314 174.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 17.6 ptt? -98.75 78.89 2.37 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.899 0.879 . . . . 0.0 109.643 170.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 16.7 p -79.68 -58.3 3.25 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.077 0.551 . . . . 0.0 110.785 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.511 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -67.4 151.57 47.19 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 123.117 0.567 . . . . 0.0 110.655 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.92 176.43 10.18 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.35 -161.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 74.4 m-85 -103.1 113.68 27.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.678 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -95.45 109.29 21.5 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -98.86 117.55 44.1 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.545 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.6 p90 -135.93 179.35 6.4 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.56 0.695 . . . . 0.0 109.489 178.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -123.44 147.17 47.41 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 165.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.61 161.72 23.38 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 124.505 1.122 . . . . 0.0 108.175 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -34.8 39.12 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 124.496 1.122 . . . . 0.0 111.733 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.46 5.74 0.54 Allowed 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.515 1.126 . . . . 0.0 113.34 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.54 28.56 73.12 Favored Glycine 0 C--N 1.351 1.373 0 C-N-CA 124.312 0.958 . . . . 0.0 112.592 -176.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -110.03 109.27 19.78 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.025 0.53 . . . . 0.0 110.793 -171.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.445 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 89.9 m-85 -59.17 119.52 7.49 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.81 136.41 38.8 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.023 1.329 . . . . 0.0 107.779 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -122.1 173.41 7.58 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-O 121.022 0.439 . . . . 0.0 109.834 168.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -144.34 169.61 17.59 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.24 -1.345 . . . . 0.0 110.499 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.436 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 18.0 t80 -122.14 134.36 54.74 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 168.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -100.24 -179.27 4.08 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.868 -172.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.633 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -126.64 177.95 6.21 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 171.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 p -71.99 -26.98 62.46 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 118.451 0.568 . . . . 0.0 111.008 -160.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -102.54 7.59 40.08 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.614 0.366 . . . . 0.0 111.643 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.27 17.97 20.72 Favored Glycine 0 C--N 1.349 1.299 0 N-CA-C 114.894 0.718 . . . . 0.0 114.894 175.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.633 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 15.5 mp0 -78.64 156.0 29.27 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 m -121.42 135.33 55.07 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 171.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -113.25 -18.23 12.14 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.472 -0.785 . . . . 0.0 112.0 -175.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.625 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 0.1 OUTLIER -164.46 167.37 19.59 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 162.374 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 p -174.3 -175.81 1.03 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.979 1.424 . . . . 0.0 111.679 -168.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.7 m 89.43 5.53 0.14 Allowed 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 156.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.752 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 8.2 tp10 -97.0 -84.36 0.37 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.445 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 92.13 -12.36 69.79 Favored Glycine 0 C--N 1.354 1.544 0 CA-C-O 120.055 -0.303 . . . . 0.0 112.704 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.752 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 15.2 t80 75.65 -65.98 0.3 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.394 1.877 . . . . 0.0 111.32 175.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -154.21 -61.35 0.13 Allowed 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.255 0.55 . . . . 0.0 109.89 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -139.43 -174.78 3.97 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.934 1.294 . . . . 0.0 108.753 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -68.09 -50.09 57.14 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 118.71 0.686 . . . . 0.0 110.142 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.04 -46.7 71.98 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.075 0.55 . . . . 0.0 110.797 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.45 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 4.9 m -65.89 -28.8 69.22 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.379 177.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.41 -46.78 72.22 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.398 0.679 . . . . 0.0 110.693 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.4 mp -55.54 -48.56 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-O 119.354 -0.355 . . . . 0.0 110.839 172.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -57.67 -39.48 77.19 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.165 0.586 . . . . 0.0 111.132 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.43 -53.72 55.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.939 172.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.459 ' O ' ' HD2' ' A' ' 46' ' ' LYS . 58.4 mt -59.43 -26.95 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.234 0.614 . . . . 0.0 111.99 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 44.8 mt-10 -67.0 -31.79 72.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 119.415 -0.326 . . . . 0.0 110.128 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.1 m -55.78 -37.59 68.76 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 123.669 0.606 . . . . 0.0 111.52 171.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.51 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.7 mm -69.67 -43.36 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.557 -175.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -59.1 -24.97 63.41 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.211 1.004 . . . . 0.0 112.95 179.028 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -64.99 -52.88 53.74 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.168 0.587 . . . . 0.0 111.998 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -176.89 16.65 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 123.632 0.582 . . . . 0.0 111.896 -170.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.9 t -65.8 -31.82 73.0 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.279 -0.888 . . . . 0.0 112.48 -173.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.21 71.31 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.175 0.297 . . . . 0.0 111.687 170.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.26 3.43 64.03 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-O 119.427 -0.652 . . . . 0.0 114.127 176.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.69 164.73 13.88 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.374 0.669 . . . . 0.0 111.608 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -89.37 156.52 18.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.0 m -110.31 98.13 7.43 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 174.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.1 t -97.19 127.35 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.876 0.87 . . . . 0.0 109.596 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -108.8 111.44 23.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.056 0.542 . . . . 0.0 110.438 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 57' ' ' LEU . 1.9 mm? -93.47 -15.84 25.14 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.849 1.26 . . . . 0.0 112.044 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.589 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 6.7 t -86.73 8.18 23.66 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.147 0.498 . . . . 0.0 112.269 -175.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.27 -17.33 61.34 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 122.735 0.414 . . . . 0.0 110.073 166.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.9 ttt -88.91 -56.68 3.19 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 123.563 0.745 . . . . 0.0 109.633 173.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.1 p -69.59 147.06 51.22 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.241 0.617 . . . . 0.0 111.201 -173.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -176.508 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttp . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.069 0.461 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -69.11 160.32 31.27 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.118 170.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.1 176.08 7.96 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.04 -166.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.439 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 76.5 m-85 -103.15 113.5 27.03 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.267 1.027 . . . . 0.0 109.556 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -95.69 109.04 21.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.088 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.7 mt -98.23 118.05 44.11 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 -175.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.589 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 43.1 p90 -136.23 179.64 6.23 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.429 0.633 . . . . 0.0 109.296 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -123.93 147.4 47.74 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 165.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -81.55 161.24 23.64 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -50.99 -35.43 33.79 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.878 1.271 . . . . 0.0 111.295 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.89 6.34 0.52 Allowed 'General case' 0 CA--C 1.567 1.625 0 C-N-CA 124.159 0.984 . . . . 0.0 113.157 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.68 28.29 73.24 Favored Glycine 0 C--N 1.349 1.294 0 C-N-CA 124.597 1.094 . . . . 0.0 112.911 -176.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -109.83 118.7 37.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.664 0.386 . . . . 0.0 110.326 -170.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.443 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 85.7 m-85 -73.77 121.11 20.31 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -172.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' B' ' 14' ' ' TYR . 29.1 mmt180 -136.25 135.84 39.36 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -122.11 173.66 7.42 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 168.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -145.0 170.48 16.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 114.403 -1.272 . . . . 0.0 111.183 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.439 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.5 t80 -122.54 133.95 54.56 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 170.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -99.87 -178.64 3.92 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.983 -171.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.619 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -127.9 165.21 20.64 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.982 1.313 . . . . 0.0 107.828 172.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -51.31 -33.43 29.0 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -172.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -101.61 6.49 42.1 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 118.104 0.411 . . . . 0.0 111.991 -176.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.19 17.99 18.54 Favored Glycine 0 C--N 1.349 1.29 0 N-CA-C 114.802 0.681 . . . . 0.0 114.802 176.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.619 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 9.0 mp0 -79.05 155.84 28.63 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 117.252 0.526 . . . . 0.0 109.747 176.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 89.0 m -120.85 135.92 55.05 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.446 ' HB2' ' HE2' ' B' ' 26' ' ' MET . 1.5 ppp? -114.0 -18.45 11.72 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.847 -175.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.4 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -163.79 167.11 21.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 161.776 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -173.59 -176.61 1.3 Allowed 'General case' 0 CA--C 1.541 0.62 0 O-C-N 125.257 1.598 . . . . 0.0 110.674 -168.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m 90.6 7.85 0.08 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 155.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.625 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -98.67 -85.44 0.38 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.085 0.554 . . . . 0.0 109.925 176.603 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 91.57 -10.74 73.99 Favored Glycine 0 C--N 1.346 1.108 0 C-N-CA 123.715 0.674 . . . . 0.0 112.515 -176.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 20.5 t80 74.24 -66.81 0.28 Allowed 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.166 1.786 . . . . 0.0 111.473 176.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -153.12 -61.21 0.14 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.106 0.479 . . . . 0.0 110.439 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.498 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -139.03 -174.73 3.93 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.773 1.229 . . . . 0.0 108.513 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -68.14 -50.18 56.26 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 118.664 0.666 . . . . 0.0 110.299 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.95 -46.92 71.73 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.234 0.614 . . . . 0.0 110.581 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.498 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 10.3 m -65.68 -28.8 69.34 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.274 178.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.41 72.03 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.405 0.682 . . . . 0.0 110.511 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.37 -48.4 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-O 119.298 -0.382 . . . . 0.0 110.803 172.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -57.16 -39.6 75.56 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.046 0.538 . . . . 0.0 111.131 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -58.49 -53.22 60.74 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.936 173.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.49 ' O ' ' HD2' ' B' ' 46' ' ' LYS . 61.5 mt -59.94 -26.78 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.139 0.576 . . . . 0.0 111.789 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 48.7 mt-10 -67.19 -31.57 72.06 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 39.6 m -56.28 -36.99 69.25 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.562 0.539 . . . . 0.0 111.353 171.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.514 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.2 mm -69.96 -43.63 79.23 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.519 -175.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' B' ' 42' ' ' ILE . 0.5 OUTLIER -58.29 -26.28 62.81 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.451 1.1 . . . . 0.0 112.849 178.844 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 99.2 mtt180 -63.47 -54.09 41.9 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.406 0.682 . . . . 0.0 112.529 -174.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -176.08 17.23 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 123.622 0.576 . . . . 0.0 111.621 -171.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.3 t -65.72 -31.71 72.85 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.462 -0.774 . . . . 0.0 112.383 -173.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.31 -33.55 71.24 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.57 0.348 . . . . 0.0 111.72 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.07 3.39 64.45 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.413 -0.66 . . . . 0.0 114.101 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.59 164.66 13.78 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 117.58 0.69 . . . . 0.0 111.502 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -88.84 156.86 18.69 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 41.5 m -110.7 98.06 7.32 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 44.8 t -96.46 127.57 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.024 0.93 . . . . 0.0 109.441 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -109.41 111.2 22.6 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.142 0.496 . . . . 0.0 110.293 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -93.25 -14.25 27.27 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.851 1.261 . . . . 0.0 112.157 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.545 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 5.8 t -88.81 5.9 41.45 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 118.771 0.714 . . . . 0.0 111.398 -175.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -30.2 59.44 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 166.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -159.43 97.85 1.37 Allowed 'General case' 0 C--O 1.24 0.593 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 173.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 5.7 m -55.0 143.65 25.8 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.201 1.001 . . . . 0.0 112.263 -169.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 C-N-CA 124.38 1.072 . . . . 0.0 109.472 -171.242 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.97 149.34 49.95 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.501 0.667 . . . . 0.0 110.919 173.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.45 173.76 11.75 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.637 -170.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -99.28 110.12 22.68 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.13 0.972 . . . . 0.0 109.125 -176.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -93.81 109.8 21.48 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.5 mt -97.36 113.21 31.18 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.658 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 40.9 p90 -131.65 178.78 6.49 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -119.7 142.93 48.05 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 162.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.506 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 33.1 t70 -80.13 162.07 24.94 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.442 1.097 . . . . 0.0 109.173 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -35.17 25.33 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.621 1.568 . . . . 0.0 112.763 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.33 5.57 2.82 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.377 1.071 . . . . 0.0 112.601 174.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.53 36.72 77.36 Favored Glycine 0 C--N 1.344 0.989 0 C-N-CA 124.134 0.873 . . . . 0.0 113.095 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -109.49 123.75 49.91 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.502 0.321 . . . . 0.0 111.155 -173.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -83.12 110.21 17.83 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 95.5 mtt180 -133.43 135.73 44.77 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.652 1.181 . . . . 0.0 110.171 -169.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -112.64 144.64 41.79 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 170.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -120.53 166.38 13.69 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.744 0.818 . . . . 0.0 108.857 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.577 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 21.4 t80 -124.9 136.75 54.07 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 175.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -97.63 -177.82 3.92 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.384 -172.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -122.48 -151.24 0.47 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.583 1.153 . . . . 0.0 108.402 175.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -93.12 -27.36 16.98 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.762 0.71 . . . . 0.0 110.613 -167.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -103.72 15.26 29.23 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.057 0.943 . . . . 0.0 111.507 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.72 21.08 72.69 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 116.514 -0.312 . . . . 0.0 113.26 -173.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.568 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 53.3 mm-40 -75.94 149.64 37.65 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -110.22 136.32 49.61 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 118.632 0.651 . . . . 0.0 109.843 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.577 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.9 ppp? -113.5 -28.34 7.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.994 0.918 . . . . 0.0 112.023 -173.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.494 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 3.2 p90 -147.41 165.06 31.37 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.733 0.778 . . . . 0.0 110.759 165.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.6 t -142.0 145.56 34.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 112.837 -1.983 . . . . 0.0 105.881 168.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 t -78.26 157.28 29.31 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.8 -22.08 62.4 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.015 0.526 . . . . 0.0 110.537 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.54 42.07 0.76 Allowed Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.425 -0.807 . . . . 0.0 114.246 172.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.6 t80 4.75 -67.36 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 128.037 2.535 . . . . 0.0 116.784 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -166.23 -69.97 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.555 0.342 . . . . 0.0 111.428 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.07 177.29 10.65 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.176 0.591 . . . . 0.0 110.632 -168.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' HE2' HD11 ' A' ' 39' ' ' ILE . 20.7 tptm -65.48 -49.49 68.85 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.781 0.832 . . . . 0.0 111.446 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.78 76.32 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.075 0.464 . . . . 0.0 111.298 174.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.2 m -66.51 -25.5 66.71 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.35 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.78 -51.67 46.2 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 123.579 0.549 . . . . 0.0 110.401 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.492 HD11 ' HE2' ' A' ' 35' ' ' LYS . 2.3 mp -56.14 -50.27 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 122.889 0.476 . . . . 0.0 111.231 176.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -58.0 -39.09 77.4 Favored 'General case' 0 C--O 1.254 1.324 0 O-C-N 123.595 0.559 . . . . 0.0 111.118 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -59.97 -56.31 23.24 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.049 171.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.439 HD13 HG23 ' B' ' 54' ' ' THR . 74.4 mt -57.51 -26.54 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.416 0.686 . . . . 0.0 111.859 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 45.5 mt-10 -67.1 -33.65 75.94 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 119.338 -0.363 . . . . 0.0 110.192 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 22.2 m -54.55 -39.8 68.07 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 123.773 0.67 . . . . 0.0 111.862 169.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.498 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.1 mm -68.81 -41.63 82.35 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.51 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 9.5 mmmm -62.79 -26.34 68.67 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.814 0.845 . . . . 0.0 112.787 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 26.2 mmm180 -62.72 -56.09 20.79 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.482 -174.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -175.08 20.35 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 122.865 0.466 . . . . 0.0 111.331 -172.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.498 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 25.3 t -62.51 -32.7 73.66 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -175.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -64.7 -19.25 65.64 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 173.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.87 -4.0 42.32 Favored Glycine 0 N--CA 1.477 1.393 0 CA-C-O 119.756 -0.469 . . . . 0.0 113.787 171.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.27 137.27 48.44 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.902 0.881 . . . . 0.0 111.515 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.17 158.05 29.72 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.163 0.585 . . . . 0.0 111.172 -177.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.443 HG23 HD13 ' B' ' 42' ' ' ILE . 55.6 m -111.49 97.66 6.9 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 121.475 0.655 . . . . 0.0 109.566 177.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.4 t -94.67 131.05 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.924 1.29 . . . . 0.0 110.593 -176.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -107.0 128.76 54.64 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.664 0.786 . . . . 0.0 111.423 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -100.93 -34.04 9.95 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.999 0.919 . . . . 0.0 112.229 170.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.652 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.6 t -78.05 -21.93 49.89 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -159.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.448 HG23 HG23 ' A' ' 58' ' ' THR . 72.8 p -128.28 -13.11 5.03 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 118.239 0.472 . . . . 0.0 110.955 -176.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.6 tpt -75.56 -49.23 19.21 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.986 0.914 . . . . 0.0 110.159 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.7 p -128.92 -71.45 0.63 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.656 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 C-N-CA 123.848 0.859 . . . . 0.0 109.103 -176.037 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.09 157.25 22.66 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.617 0.767 . . . . 0.0 111.702 170.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.53 173.76 10.62 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.02 -171.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.524 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 94.6 m-85 -98.92 110.05 22.72 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.389 1.076 . . . . 0.0 109.493 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -93.6 110.07 21.68 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 25.5 mt -97.61 113.61 32.58 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.652 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 30.4 p90 -132.37 178.7 6.62 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -119.38 142.84 47.82 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 162.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -79.96 162.1 25.12 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.422 1.089 . . . . 0.0 109.037 -177.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -50.71 -35.8 33.0 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.485 1.514 . . . . 0.0 112.194 178.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.32 5.79 2.07 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 124.042 0.937 . . . . 0.0 112.57 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.8 36.49 74.66 Favored Glycine 0 C--N 1.346 1.114 0 C-N-CA 124.288 0.947 . . . . 0.0 112.841 -177.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -110.11 124.0 50.74 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.367 0.267 . . . . 0.0 110.664 -172.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -83.18 111.42 18.91 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -172.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -133.97 134.75 42.9 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.872 1.269 . . . . 0.0 109.946 -169.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -111.78 144.64 40.75 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 169.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -120.32 166.33 13.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.081 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.566 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 20.1 t80 -124.78 136.6 53.99 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 175.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -97.62 -177.82 3.92 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.369 -172.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -122.24 -151.61 0.48 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.668 1.187 . . . . 0.0 108.374 175.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 17.6 p -92.79 -27.44 17.19 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.455 0.57 . . . . 0.0 110.855 -168.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -103.26 15.18 29.88 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.085 0.954 . . . . 0.0 111.366 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.19 22.03 71.97 Favored Glycine 0 C--N 1.345 1.069 0 CA-C-O 120.151 -0.249 . . . . 0.0 113.134 -173.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 8.7 mm-40 -76.5 149.82 36.7 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 173.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 38.6 m -110.18 136.35 49.53 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.738 0.699 . . . . 0.0 109.635 174.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.566 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 2.0 ppp? -113.96 -27.55 7.69 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.045 0.938 . . . . 0.0 112.067 -173.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.508 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 4.5 p90 -148.16 165.11 31.88 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 121.636 0.731 . . . . 0.0 110.728 164.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.0 t -141.47 146.18 36.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 168.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 37.3 t -78.43 157.88 28.85 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -71.2 -22.59 62.0 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 122.947 0.499 . . . . 0.0 110.113 171.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.13 42.09 0.79 Allowed Glycine 0 C--N 1.349 1.274 0 CA-C-N 115.349 -0.842 . . . . 0.0 114.29 172.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.438 ' CE2' ' HB2' ' B' ' 38' ' ' ALA . 3.0 p90 7.14 -67.45 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 128.035 2.534 . . . . 0.0 116.807 171.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -168.04 -70.37 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.036 0.534 . . . . 0.0 111.302 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.07 177.32 10.93 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 122.919 0.488 . . . . 0.0 110.816 -168.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -65.75 -49.21 69.22 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.8 0.84 . . . . 0.0 111.29 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.11 -43.14 77.84 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.911 0.484 . . . . 0.0 111.262 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 18.5 m -66.85 -24.79 66.18 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.29 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' B' ' 32' ' ' TYR . . . -67.08 -53.09 34.21 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.277 0.631 . . . . 0.0 110.654 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.92 -49.28 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 123.669 0.606 . . . . 0.0 111.074 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -57.93 -39.29 77.65 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 123.781 0.676 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -60.24 -56.16 24.96 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.939 172.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.443 HD13 HG23 ' A' ' 54' ' ' THR . 64.7 mt -57.8 -26.67 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.295 0.638 . . . . 0.0 111.595 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 41.3 mt-10 -66.4 -34.14 77.29 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.6 0.36 . . . . 0.0 110.1 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 21.7 m -54.32 -40.05 67.61 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.831 0.707 . . . . 0.0 111.623 169.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.524 HG21 ' HZ ' ' B' ' 4' ' ' PHE . 3.0 mm -68.77 -41.52 82.44 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -175.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.2 mmmm -63.34 -25.6 68.37 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.692 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 25.3 mmt180 -62.69 -56.6 16.2 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 124.093 0.871 . . . . 0.0 112.411 -174.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -174.51 20.43 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 123.441 0.463 . . . . 0.0 111.436 -172.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.1 t -62.18 -33.11 73.91 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.276 0.63 . . . . 0.0 112.556 -175.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.51 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.29 -19.22 65.26 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 173.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.75 -3.55 39.89 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 123.194 0.426 . . . . 0.0 113.71 172.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.51 137.22 47.97 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.69 0.796 . . . . 0.0 111.721 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.35 158.22 29.76 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.813 0.445 . . . . 0.0 111.533 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.439 HG23 HD13 ' A' ' 42' ' ' ILE . 25.7 m -111.11 97.39 6.77 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.262 0.553 . . . . 0.0 109.673 177.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 92.8 t -94.19 130.44 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.999 1.32 . . . . 0.0 110.733 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.85 128.63 53.88 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.822 0.849 . . . . 0.0 111.499 173.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -101.09 -34.52 9.69 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.939 0.896 . . . . 0.0 112.24 169.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.658 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.4 t -76.45 -15.11 59.99 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -159.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 65.9 p -131.81 20.8 4.6 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 28.0 ttt -135.82 -76.74 0.44 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.658 0.783 . . . . 0.0 109.626 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 23.8 p -141.47 100.41 3.77 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 123.47 0.708 . . . . 0.0 109.55 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 C-N-CA 124.002 0.921 . . . . 0.0 109.143 -174.749 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 ttm . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -171.84 162.5 6.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.574 1.15 . . . . 0.0 110.175 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -166.0 -179.54 5.25 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.177 -175.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.479 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 83.0 m-85 -99.85 113.3 25.73 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.382 1.073 . . . . 0.0 109.743 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.65 112.49 24.23 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.5 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 26.0 mt -99.39 114.33 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -174.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.611 ' HE1' ' HG3' ' A' ' 17' ' ' ARG . 27.2 p90 -134.22 168.62 18.53 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.34 142.45 43.56 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 169.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.47 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 36.0 t70 -77.93 163.61 25.85 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 123.667 0.787 . . . . 0.0 109.581 177.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -48.04 -33.17 7.62 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.132 1.373 . . . . 0.0 112.493 176.179 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.414 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -73.38 7.53 2.23 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 124.771 1.228 . . . . 0.0 112.468 176.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.46 22.67 77.8 Favored Glycine 0 C--N 1.346 1.107 0 C-N-CA 123.565 0.603 . . . . 0.0 112.671 -173.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 34.6 mt-10 -94.21 94.86 8.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.65 0.38 . . . . 0.0 111.518 -170.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.481 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 95.7 m-85 -53.76 131.32 39.24 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.49 171.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.19 170.44 22.27 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 125.153 1.533 . . . . 0.0 109.727 -172.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -145.76 138.82 26.02 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.622 ' HD2' HG21 ' A' ' 25' ' ' THR . 23.0 mtm180 -107.29 165.01 11.7 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.66 0.784 . . . . 0.0 109.029 173.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.564 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 21.6 t80 -127.16 142.24 51.55 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 173.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -98.91 -177.5 3.66 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.293 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.435 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . . . -134.42 161.08 36.01 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.805 1.242 . . . . 0.0 108.322 175.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 p -54.61 -28.43 46.57 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.345 1.058 . . . . 0.0 113.367 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -86.06 16.75 4.0 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.437 0.695 . . . . 0.0 111.174 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.48 49.98 68.83 Favored Glycine 0 C--N 1.354 1.547 0 C-N-CA 123.585 0.612 . . . . 0.0 113.604 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.435 ' HG3' ' HB3' ' A' ' 20' ' ' ALA . 6.9 pt-20 -140.09 138.92 35.71 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.151 0.58 . . . . 0.0 109.897 -175.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.622 HG21 ' HD2' ' A' ' 17' ' ' ARG . 54.4 m -78.42 141.97 37.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.293 0.637 . . . . 0.0 109.957 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.564 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.3 ppp? -120.29 -21.46 6.92 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.031 0.932 . . . . 0.0 111.665 -176.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.563 ' HE2' ' HB2' ' A' ' 29' ' ' SER . 3.3 p90 -152.22 161.89 41.95 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.497 0.665 . . . . 0.0 111.165 167.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.4 t -130.93 141.91 50.32 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 113.263 -1.789 . . . . 0.0 107.12 166.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.563 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 43.0 t -102.61 175.11 5.61 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.344 0.592 . . . . 0.0 110.405 -173.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.543 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 10.2 pt-20 -79.75 -16.1 56.24 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.471 169.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.481 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 74.57 -2.05 49.16 Favored Glycine 0 C--N 1.363 2.041 0 N-CA-C 115.597 0.999 . . . . 0.0 115.597 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.543 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 3.0 t80 82.79 -53.55 0.19 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.995 1.718 . . . . 0.0 111.624 169.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -165.88 -57.45 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.332 0.653 . . . . 0.0 111.128 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.52 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -146.1 -171.78 3.79 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.817 0.847 . . . . 0.0 109.314 -169.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.519 ' NZ ' HG23 ' B' ' 58' ' ' THR . 22.6 ttmm -65.27 -49.68 68.66 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.23 0.468 . . . . 0.0 110.763 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.48 -39.4 73.18 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.285 0.634 . . . . 0.0 111.193 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.52 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.6 m -72.5 -30.32 64.4 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.997 177.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.09 -54.72 18.74 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.799 0.84 . . . . 0.0 110.511 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.418 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 2.1 mp -57.39 -47.97 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 123.385 0.674 . . . . 0.0 110.712 175.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -57.21 -38.6 73.97 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.217 0.607 . . . . 0.0 111.531 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.47 -53.36 57.43 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.441 ' HA ' HG12 ' A' ' 45' ' ' ILE . 72.7 mt -58.57 -27.59 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 122.814 0.446 . . . . 0.0 111.529 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 56.7 mm-40 -62.63 -39.54 94.15 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.989 0.515 . . . . 0.0 110.117 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.3 m -54.39 -38.72 66.49 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 123.849 0.718 . . . . 0.0 112.112 172.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.492 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.1 mm -69.31 -40.58 80.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -175.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.535 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.5 mmmm -62.74 -21.79 66.06 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -177.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 38.0 mmt-85 -72.32 -60.28 2.31 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.846 -172.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -163.64 17.25 0.07 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 122.75 0.42 . . . . 0.0 110.981 -170.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 22.8 t -64.47 -32.15 73.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.694 -0.629 . . . . 0.0 112.423 -175.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.39 -23.05 67.24 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.965 172.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.32 -7.97 36.53 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-O 119.489 -0.617 . . . . 0.0 113.811 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.52 151.68 36.83 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.796 0.838 . . . . 0.0 111.545 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -76.37 159.33 30.6 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.161 0.505 . . . . 0.0 110.444 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -119.63 99.36 6.61 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.105 0.562 . . . . 0.0 109.647 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.16 126.08 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.56 1.144 . . . . 0.0 109.373 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.565 ' CG ' ' HZ1' ' B' ' 35' ' ' LYS . 12.4 t70 -99.18 111.14 23.59 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.065 0.546 . . . . 0.0 110.393 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.78 -30.77 45.76 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.866 0.867 . . . . 0.0 112.441 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.69 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 12.3 t -81.76 12.6 3.8 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -166.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 168.695 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ttt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -165.64 157.13 14.25 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.87 1.268 . . . . 0.0 109.561 171.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 179.0 8.04 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.271 0.628 . . . . 0.0 111.814 -171.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.502 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 84.6 m-85 -99.52 112.95 25.08 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 124.419 1.088 . . . . 0.0 109.718 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.447 ' HB2' ' HG2' ' B' ' 17' ' ' ARG . 33.4 mt-10 -94.73 112.62 24.35 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 23.1 mt -99.18 114.75 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -174.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.69 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 46.2 p90 -134.3 167.7 20.23 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.436 HE21 ' HA2' ' B' ' 12' ' ' GLY . 10.0 pt20 -111.33 142.38 43.64 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 168.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.55 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 26.7 t70 -77.93 163.89 25.6 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.14 0.976 . . . . 0.0 109.013 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -33.32 10.19 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 125.034 1.334 . . . . 0.0 112.432 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.31 7.91 2.0 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 124.64 1.176 . . . . 0.0 112.669 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . 0.436 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 69.76 23.39 76.84 Favored Glycine 0 C--N 1.35 1.306 0 C-N-CA 123.803 0.716 . . . . 0.0 112.888 -173.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.55 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 39.1 mt-10 -93.45 95.57 9.36 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.677 0.391 . . . . 0.0 111.146 -170.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.487 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 60.5 m-85 -55.4 129.16 37.57 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.124 0.57 . . . . 0.0 110.503 171.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -153.75 170.51 20.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.274 1.829 . . . . 0.0 109.085 -172.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -146.04 139.4 26.04 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.447 ' HG2' ' HB2' ' B' ' 5' ' ' GLU . 8.9 ptp180 -107.63 165.8 11.15 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.555 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 23.0 t80 -127.67 142.01 51.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -99.05 -177.9 3.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.229 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.98 161.41 34.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.613 1.165 . . . . 0.0 108.033 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 88.2 p -54.82 -28.77 51.95 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.316 1.046 . . . . 0.0 113.338 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -86.23 17.59 3.59 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 123.493 0.717 . . . . 0.0 111.518 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.67 48.47 81.16 Favored Glycine 0 C--N 1.352 1.444 0 C-N-CA 123.815 0.721 . . . . 0.0 113.761 175.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -139.18 139.82 37.64 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.264 0.626 . . . . 0.0 110.11 -176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 90.4 m -78.76 142.05 37.33 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.445 0.698 . . . . 0.0 109.936 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.555 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.4 ppp? -120.16 -21.55 6.96 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.549 -176.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.572 ' HE2' ' HB3' ' B' ' 29' ' ' SER . 3.0 p90 -152.22 161.25 42.89 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.606 0.717 . . . . 0.0 111.137 168.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -130.48 141.51 50.51 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 113.39 -1.732 . . . . 0.0 106.926 166.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.572 ' HB3' ' HE2' ' B' ' 27' ' ' PHE . 86.2 p -102.59 176.92 5.01 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.195 0.522 . . . . 0.0 110.265 -174.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -82.39 -13.8 56.26 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.575 169.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 73.93 -1.3 47.88 Favored Glycine 0 C--N 1.356 1.689 0 N-CA-C 115.498 0.959 . . . . 0.0 115.498 -178.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 82.63 -53.72 0.2 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.666 1.587 . . . . 0.0 111.68 169.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -166.45 -57.84 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.447 0.699 . . . . 0.0 110.949 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.509 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -146.52 -171.14 3.68 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.728 0.811 . . . . 0.0 108.978 -169.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.565 ' HZ1' ' CG ' ' A' ' 56' ' ' ASP . 24.6 tttp -66.16 -49.42 67.47 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.254 0.621 . . . . 0.0 110.577 178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.13 73.35 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.647 0.779 . . . . 0.0 110.973 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.509 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 8.1 m -72.98 -30.56 63.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.859 0.864 . . . . 0.0 111.015 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.91 -54.6 20.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.814 0.846 . . . . 0.0 110.508 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.43 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.2 mp -57.75 -47.55 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.192 0.597 . . . . 0.0 110.942 175.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.6 -39.11 73.01 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 123.454 0.701 . . . . 0.0 111.772 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.62 -53.66 53.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.314 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.418 ' HA ' HG12 ' B' ' 45' ' ' ILE . 73.2 mt -58.08 -28.23 33.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 122.885 0.474 . . . . 0.0 111.352 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.461 ' HB3' HH21 ' B' ' 47' ' ' ARG . 51.9 mt-10 -62.5 -39.23 92.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.851 0.461 . . . . 0.0 109.973 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 7.8 m -54.69 -38.72 67.34 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.692 0.62 . . . . 0.0 112.115 172.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.502 HG21 ' HZ ' ' B' ' 4' ' ' PHE . 3.3 mm -68.84 -40.54 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -175.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.1 mmmm -63.06 -21.95 66.52 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.119 -0.946 . . . . 0.0 113.395 -176.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.461 HH21 ' HB3' ' B' ' 43' ' ' GLU . 21.7 mmt180 -71.39 -61.21 1.86 Allowed 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.491 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -163.51 17.72 0.07 Allowed 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.867 0.467 . . . . 0.0 111.233 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.483 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 23.0 t -64.22 -32.36 73.91 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.695 -0.628 . . . . 0.0 112.254 -176.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.42 -22.69 67.03 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.81 0.444 . . . . 0.0 111.915 172.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.41 -8.07 36.11 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-O 119.371 -0.683 . . . . 0.0 113.932 173.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.59 151.25 38.42 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.848 0.859 . . . . 0.0 111.566 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -75.36 158.6 32.52 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.221 0.534 . . . . 0.0 110.563 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 41.7 m -119.57 99.57 6.75 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.406 0.683 . . . . 0.0 109.608 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.79 125.69 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.743 1.217 . . . . 0.0 109.505 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.5 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.3 t70 -99.42 110.03 22.56 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.37 0.668 . . . . 0.0 110.259 175.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 mp -77.74 -30.51 51.64 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.349 1.06 . . . . 0.0 111.955 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.608 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.6 t -81.81 7.01 13.81 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 118.166 0.439 . . . . 0.0 112.059 -167.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.545 0.785 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 167.605 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.75 172.89 16.26 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.171 0.588 . . . . 0.0 112.329 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.418 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -157.25 174.98 14.63 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.563 -174.183 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.453 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 76.9 m-85 -100.92 120.69 40.53 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.354 1.062 . . . . 0.0 109.642 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 16' ' ' PHE . 78.2 mt-10 -92.34 107.35 19.15 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.592 0.757 . . . . 0.0 110.005 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.49 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 38.1 mt -100.67 113.78 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.567 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 20.8 p90 -138.87 178.29 7.26 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -177.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -115.52 141.56 47.89 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 163.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.572 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 19.4 t70 -78.38 165.72 23.49 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -51.02 -35.33 33.55 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.224 1.01 . . . . 0.0 112.308 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HB3' ' HG2' ' A' ' 13' ' ' GLU . . . -73.97 6.58 3.24 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 123.879 0.872 . . . . 0.0 112.637 176.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.04 29.43 60.66 Favored Glycine 0 C--N 1.351 1.363 0 C-N-CA 124.314 0.959 . . . . 0.0 112.444 -175.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 11.4 mm-40 -92.96 89.17 6.43 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.344 0.258 . . . . 0.0 110.991 -171.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.405 ' CD1' ' HB3' ' A' ' 35' ' ' LYS . 64.1 m-85 -59.02 125.13 22.36 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.099 0.476 . . . . 0.0 111.297 173.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -169.61 165.97 10.08 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 114.204 -1.362 . . . . 0.0 111.693 -172.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 48.4 p90 -128.34 144.2 51.1 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.56 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.666 ' HD2' HG21 ' A' ' 25' ' ' THR . 41.8 mtm180 -108.2 165.03 11.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.392 1.077 . . . . 0.0 108.562 170.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.552 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 20.1 t80 -125.87 138.6 53.81 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 170.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -100.21 -178.38 3.81 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.148 0.979 . . . . 0.0 111.852 -173.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.37 162.47 30.05 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.273 -1.33 . . . . 0.0 108.693 174.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.5 p -53.16 -26.33 16.71 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -85.31 -1.82 57.39 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.137 0.575 . . . . 0.0 111.898 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.35 28.98 46.57 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 123.023 0.344 . . . . 0.0 112.429 -172.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -103.11 124.83 49.31 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.354 0.662 . . . . 0.0 110.576 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.666 HG21 ' HD2' ' A' ' 17' ' ' ARG . 93.6 m -77.77 129.65 35.74 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 173.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.566 ' HE1' ' HD1' ' A' ' 27' ' ' PHE . 1.5 ppp? -108.3 -17.98 13.87 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.663 0.785 . . . . 0.0 112.171 -176.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.566 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 5.4 p90 -156.95 163.58 38.97 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.46 0.648 . . . . 0.0 111.912 166.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 t -129.05 141.16 51.32 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.336 -1.756 . . . . 0.0 106.681 169.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.451 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 36.0 t -101.91 178.9 4.48 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.103 0.561 . . . . 0.0 110.128 -174.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -93.99 -6.96 44.18 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.495 0.718 . . . . 0.0 109.599 169.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.46 3.51 82.86 Favored Glycine 0 C--N 1.357 1.723 0 N-CA-C 114.608 0.603 . . . . 0.0 114.608 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.531 ' HD2' ' HB3' ' A' ' 37' ' ' SER . 76.7 t80 75.74 -63.05 0.42 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.453 1.501 . . . . 0.0 111.101 176.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -152.87 -49.51 0.1 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.283 0.633 . . . . 0.0 111.107 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -151.61 -175.34 5.16 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.658 0.783 . . . . 0.0 109.585 -172.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -70.11 -46.31 65.07 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 119.115 0.871 . . . . 0.0 110.969 -178.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.474 ' N ' ' HD3' ' A' ' 35' ' ' LYS . . . -59.2 -40.76 86.76 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.076 0.551 . . . . 0.0 110.467 177.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.531 ' HB3' ' HD2' ' A' ' 32' ' ' TYR . 4.4 m -65.68 -29.87 70.48 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.874 176.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.61 66.65 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.269 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -54.8 -50.85 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 123.157 0.583 . . . . 0.0 110.882 172.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -58.33 -37.02 74.28 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.392 0.677 . . . . 0.0 111.152 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -62.57 -51.24 68.11 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.49 173.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.514 ' HA ' HG12 ' A' ' 45' ' ' ILE . 73.2 mt -61.06 -25.55 36.48 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 O-C-N 122.053 -0.405 . . . . 0.0 111.653 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 46.7 mt-10 -69.55 -30.64 68.49 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 37.7 m -57.56 -39.49 76.8 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 123.743 0.652 . . . . 0.0 111.427 169.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.514 HG12 ' HA ' ' A' ' 42' ' ' ILE . 3.9 mm -67.91 -41.2 84.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -173.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HD2' ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -57.84 -28.96 64.59 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.611 1.164 . . . . 0.0 113.787 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.5 mmt180 -70.69 -47.94 57.25 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -170.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -174.07 16.49 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 123.332 0.395 . . . . 0.0 111.913 -172.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.513 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.2 t -66.05 -30.56 71.11 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.445 -0.784 . . . . 0.0 112.179 -175.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.24 -37.75 75.5 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 123.424 0.452 . . . . 0.0 111.679 171.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.06 2.27 65.84 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.705 -0.497 . . . . 0.0 113.941 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.08 157.84 24.3 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.512 0.725 . . . . 0.0 112.164 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' B' ' 3' ' ' LYS . 29.8 t0 -83.45 153.34 24.52 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 m -117.15 100.83 7.98 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.896 0.478 . . . . 0.0 109.833 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.7 t -105.32 130.09 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.673 0.789 . . . . 0.0 110.319 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.718 ' HB2' HG23 ' A' ' 59' ' ' THR . 5.2 m-20 -98.62 108.4 21.08 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.869 0.868 . . . . 0.0 109.377 175.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mp -77.8 -14.58 59.54 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.244 1.018 . . . . 0.0 111.226 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -100.37 21.6 12.87 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 123.498 0.719 . . . . 0.0 110.429 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.718 HG23 ' HB2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 C-N-CA 123.636 0.774 . . . . 0.0 110.891 173.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ttt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.99 174.05 14.34 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.651 0.78 . . . . 0.0 111.553 175.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -158.44 175.26 13.92 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.486 -174.032 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.44 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 71.7 m-85 -101.09 120.62 40.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.421 1.089 . . . . 0.0 109.57 174.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' B' ' 16' ' ' PHE . 42.7 mt-10 -92.75 107.43 19.21 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.785 0.834 . . . . 0.0 109.81 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.446 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 56.6 mt -100.72 113.86 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.469 ' HE1' ' HG3' ' B' ' 17' ' ' ARG . 5.9 p90 -139.2 178.11 7.42 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -177.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -115.33 141.45 48.02 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 163.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.629 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 24.9 t70 -78.17 165.23 24.19 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -49.62 -35.27 20.49 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.552 1.141 . . . . 0.0 112.939 178.299 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.525 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . . . -75.24 6.92 3.84 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.094 0.958 . . . . 0.0 112.331 177.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.54 29.56 61.49 Favored Glycine 0 C--N 1.345 1.07 0 C-N-CA 124.441 1.02 . . . . 0.0 112.476 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.629 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 16.2 mm-40 -92.7 89.8 6.81 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.316 0.246 . . . . 0.0 110.742 -172.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.43 ' CD1' ' HB2' ' B' ' 35' ' ' LYS . 51.4 m-85 -59.67 125.45 23.69 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.212 0.529 . . . . 0.0 111.4 173.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.403 ' HE ' ' HB2' ' B' ' 9' ' ' ASP . 17.1 ptt180 -169.09 165.77 11.1 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.357 -171.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' B' ' 5' ' ' GLU . 48.5 p90 -128.45 143.92 51.06 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.612 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.504 ' HD2' HG21 ' B' ' 25' ' ' THR . 22.7 mtm180 -107.52 165.43 11.42 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.273 1.029 . . . . 0.0 108.473 170.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.53 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 19.6 t80 -126.03 138.4 53.72 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 169.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -100.22 -178.26 3.77 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.041 0.936 . . . . 0.0 111.728 -173.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.31 162.45 30.03 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.183 -1.372 . . . . 0.0 108.889 174.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.1 p -53.89 -25.37 19.75 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -84.9 -1.91 57.18 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.329 0.651 . . . . 0.0 112.32 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.11 28.9 47.98 Favored Glycine 0 C--N 1.341 0.823 0 O-C-N 123.45 0.469 . . . . 0.0 112.297 -172.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -102.29 124.67 48.29 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.448 0.699 . . . . 0.0 110.568 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.504 HG21 ' HD2' ' B' ' 17' ' ' ARG . 98.7 m -77.88 129.61 35.59 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 173.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.552 ' HE1' ' HD1' ' B' ' 27' ' ' PHE . 1.5 ppp? -108.61 -17.53 13.94 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.487 -0.778 . . . . 0.0 112.088 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.552 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 6.1 p90 -156.88 163.98 38.56 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.562 0.696 . . . . 0.0 111.785 166.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -129.5 141.02 51.09 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 113.421 -1.718 . . . . 0.0 106.764 169.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.456 ' HB2' ' HE2' ' B' ' 27' ' ' PHE . 36.4 t -101.83 178.18 4.69 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.172 0.589 . . . . 0.0 110.154 -174.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -92.55 -7.41 47.29 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.298 0.639 . . . . 0.0 109.847 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.37 3.81 83.06 Favored Glycine 0 C--N 1.356 1.67 0 N-CA-C 114.884 0.714 . . . . 0.0 114.884 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.506 ' HD2' ' HB3' ' B' ' 37' ' ' SER . 80.5 t80 75.63 -63.34 0.41 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.429 1.492 . . . . 0.0 111.089 176.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -152.67 -49.48 0.1 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.468 0.707 . . . . 0.0 111.218 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.463 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -151.24 -175.51 5.19 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.627 0.771 . . . . 0.0 109.124 -172.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.43 ' HB2' ' CD1' ' B' ' 14' ' ' TYR . 48.1 tttm -70.07 -47.4 62.09 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.978 0.808 . . . . 0.0 110.685 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.24 81.1 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.254 0.549 . . . . 0.0 110.741 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.506 ' HB3' ' HD2' ' B' ' 32' ' ' TYR . 3.7 m -65.98 -29.87 70.33 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.819 176.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.78 67.02 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.869 0.868 . . . . 0.0 110.327 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.405 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.9 mp -54.84 -50.39 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 118.301 0.5 . . . . 0.0 110.949 172.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -59.06 -36.23 74.7 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.106 0.562 . . . . 0.0 111.673 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -62.62 -51.69 66.29 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.367 172.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.502 ' O ' ' HD2' ' B' ' 46' ' ' LYS . 77.8 mt -61.01 -25.66 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 O-C-N 122.092 -0.38 . . . . 0.0 111.682 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 47.7 mt-10 -68.91 -30.12 68.53 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.434 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 32.2 m -58.57 -39.04 79.19 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.144 0.578 . . . . 0.0 111.362 169.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.518 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.2 mm -67.95 -41.53 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 124.025 0.828 . . . . 0.0 108.967 -174.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.502 ' HD2' ' O ' ' B' ' 42' ' ' ILE . 0.7 OUTLIER -57.52 -29.64 64.5 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.824 1.249 . . . . 0.0 113.79 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 31.2 mmm180 -69.8 -47.91 61.08 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -170.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -174.59 16.21 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 O-C-N 123.371 0.419 . . . . 0.0 111.98 -171.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.518 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 24.0 t -66.25 -30.63 71.11 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.405 -0.809 . . . . 0.0 112.214 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.24 76.87 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.753 0.421 . . . . 0.0 111.492 171.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.33 2.74 68.44 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 119.567 -0.574 . . . . 0.0 113.977 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.58 157.58 26.56 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.5 0.72 . . . . 0.0 112.229 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.418 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 19.8 t70 -82.49 152.84 25.89 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 16.8 m -116.48 100.55 7.94 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.035 0.534 . . . . 0.0 110.211 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.1 p -105.1 130.78 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.264 0.626 . . . . 0.0 110.656 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.49 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.5 t70 -98.79 108.43 21.12 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.956 0.903 . . . . 0.0 110.212 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.16 -19.76 50.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.29 1.036 . . . . 0.0 112.206 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.567 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 8.9 t -89.52 12.66 15.92 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 118.409 0.549 . . . . 0.0 111.515 -174.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 168.549 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.0 ttp . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.42 172.8 2.37 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.711 0.804 . . . . 0.0 112.571 173.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.89 178.65 8.71 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.417 -172.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.32 120.36 39.82 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.712 1.205 . . . . 0.0 109.375 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.457 ' HB2' ' HG2' ' A' ' 17' ' ' ARG . 46.6 mt-10 -96.7 111.32 23.53 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 175.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.495 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 42.4 mt -102.8 116.04 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.648 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 35.9 p90 -139.9 -177.85 5.17 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -122.22 155.48 35.76 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 165.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -88.23 159.75 18.0 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.356 -1.293 . . . . 0.0 108.69 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -34.27 2.23 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.681 1.593 . . . . 0.0 113.353 176.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.8 4.7 3.06 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.097 0.959 . . . . 0.0 112.91 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.51 35.07 89.5 Favored Glycine 0 C--N 1.36 1.891 0 C-N-CA 123.917 0.77 . . . . 0.0 112.39 -174.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -111.05 130.28 55.65 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.019 0.528 . . . . 0.0 109.611 -174.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -84.88 127.32 34.1 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -128.04 135.21 49.54 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -122.18 131.09 53.77 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 167.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' HD2' ' HE1' ' A' ' 7' ' ' TYR . 8.9 ptm180 -113.07 164.83 12.99 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.999 0.919 . . . . 0.0 109.059 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.662 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 15.1 t80 -121.62 133.56 54.99 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 171.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -98.6 -179.64 4.38 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.619 -173.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.426 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . . . -132.17 162.6 30.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.226 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 m -53.01 -35.19 59.13 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.622 1.169 . . . . 0.0 113.331 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.461 HD21 ' HB3' ' A' ' 24' ' ' GLU . 4.6 p-10 -83.38 -3.09 57.2 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.986 0.514 . . . . 0.0 111.887 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.9 49.36 6.49 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 123.5 0.571 . . . . 0.0 112.98 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' HB3' HD21 ' A' ' 22' ' ' ASN . 10.0 pt-20 -125.15 154.06 42.07 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 174.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.3 m -95.36 144.52 25.83 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.207 0.603 . . . . 0.0 109.585 174.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.662 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.9 ppp? -121.33 -30.51 4.27 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.606 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.444 ' N ' ' SD ' ' A' ' 26' ' ' MET . 3.3 p90 -138.44 149.13 45.17 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.571 0.7 . . . . 0.0 110.901 167.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 m -123.8 132.42 53.78 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 113.327 -1.76 . . . . 0.0 106.47 169.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -111.99 164.79 12.74 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 123.302 0.641 . . . . 0.0 109.523 -174.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.65 2.18 20.32 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.973 0.909 . . . . 0.0 111.807 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.06 -6.98 61.09 Favored Glycine 0 N--CA 1.477 1.373 0 CA-C-O 120.055 -0.303 . . . . 0.0 113.693 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.9 t80 78.8 -52.11 0.46 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.599 1.96 . . . . 0.0 111.649 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -165.35 -57.82 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.598 0.759 . . . . 0.0 110.364 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -146.36 -169.99 3.39 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.043 0.937 . . . . 0.0 108.62 -174.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -65.75 -47.5 75.03 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.569 0.622 . . . . 0.0 110.677 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.86 -44.5 70.41 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.213 0.53 . . . . 0.0 110.787 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.441 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 14.8 m -72.19 -28.42 63.19 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.15 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.81 -55.55 14.39 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 123.537 0.735 . . . . 0.0 110.72 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.476 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 2.8 mp -60.11 -48.48 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-O 118.929 -0.558 . . . . 0.0 110.36 177.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -57.14 -39.74 75.78 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 123.561 0.538 . . . . 0.0 110.864 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.73 -56.13 26.1 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 173.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.467 HG22 ' HD3' ' A' ' 46' ' ' LYS . 87.7 mt -57.63 -24.64 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 123.519 0.728 . . . . 0.0 111.981 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' HA ' ' HG2' ' A' ' 46' ' ' LYS . 23.3 mm-40 -66.78 -28.75 68.64 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.916 0.486 . . . . 0.0 110.569 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -55.56 -43.47 75.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 123.651 0.595 . . . . 0.0 112.109 165.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.494 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.7 mm -66.13 -41.02 88.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-O 121.573 0.701 . . . . 0.0 109.148 -172.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.532 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 6.6 mmmm -61.69 -22.21 65.14 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 114.76 -1.109 . . . . 0.0 113.277 -174.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 16.2 mmt180 -77.31 -63.77 1.29 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.195 -172.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -153.26 15.5 0.53 Allowed 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 122.366 0.266 . . . . 0.0 111.693 -169.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.494 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 21.7 t -67.2 -33.73 76.01 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -174.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.497 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -60.97 -26.34 67.48 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.85 0.46 . . . . 0.0 111.914 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.72 -4.03 39.8 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-O 119.619 -0.545 . . . . 0.0 113.878 175.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.26 140.25 58.7 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.689 0.796 . . . . 0.0 110.627 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.8 154.74 41.44 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 117.782 0.264 . . . . 0.0 110.421 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.7 m -115.81 99.88 7.61 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.238 0.615 . . . . 0.0 109.775 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.0 t -99.54 127.67 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.687 0.795 . . . . 0.0 109.724 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 13.6 t70 -104.08 112.28 25.22 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.205 0.602 . . . . 0.0 109.587 173.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.37 -20.6 28.03 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.283 1.433 . . . . 0.0 112.271 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.668 HG23 ' HZ3' ' B' ' 35' ' ' LYS . 10.3 t -92.89 15.94 13.68 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.582 0.706 . . . . 0.0 111.441 -171.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.477 0.918 0 C-N-CA 123.22 0.608 . . . . 0.0 109.961 166.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.3 ttm . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.412 ' OH ' ' HB2' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -157.17 178.52 10.24 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.824 0.85 . . . . 0.0 111.311 177.307 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.65 178.23 7.46 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 123.422 0.689 . . . . 0.0 112.029 -174.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -100.49 120.11 39.5 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.014 1.326 . . . . 0.0 109.226 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.93 111.05 23.43 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.435 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 28.4 mt -103.11 116.08 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.63 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 21.1 p90 -139.88 -177.79 5.14 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -122.75 154.23 38.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 166.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -87.43 160.21 18.4 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.147 1.379 . . . . 0.0 108.263 175.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -34.24 3.34 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.794 1.638 . . . . 0.0 113.165 176.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.37 4.46 2.93 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.189 0.996 . . . . 0.0 112.894 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.81 34.89 88.68 Favored Glycine 0 C--N 1.348 1.234 0 C-N-CA 123.835 0.731 . . . . 0.0 112.504 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.45 130.84 55.47 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.114 0.566 . . . . 0.0 109.889 -174.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -84.72 127.86 34.32 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -173.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -128.18 135.04 49.18 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 175.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -121.92 131.02 53.8 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 166.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.528 ' HD2' HG21 ' B' ' 25' ' ' THR . 24.6 mtm180 -112.42 165.3 12.33 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 123.964 0.906 . . . . 0.0 109.216 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.647 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 16.7 t80 -122.12 133.31 54.76 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 171.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -98.1 -178.96 4.23 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.854 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.31 162.3 32.19 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.043 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -53.35 -34.41 57.45 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.706 1.202 . . . . 0.0 113.567 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -83.18 -4.63 58.59 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.423 0.689 . . . . 0.0 111.291 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.31 47.35 6.98 Favored Glycine 0 C--N 1.344 0.985 0 C-N-CA 123.451 0.548 . . . . 0.0 112.875 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -123.47 152.97 41.13 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.388 0.675 . . . . 0.0 109.582 174.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.528 HG21 ' HD2' ' B' ' 17' ' ' ARG . 63.6 m -94.48 144.19 25.78 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.293 0.637 . . . . 0.0 109.437 174.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.647 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.9 ppp? -121.17 -30.69 4.28 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.547 -175.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.442 ' N ' ' SD ' ' B' ' 26' ' ' MET . 3.7 p90 -138.17 149.09 45.52 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.539 0.685 . . . . 0.0 110.784 167.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.3 m -123.15 132.53 54.11 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 113.404 -1.726 . . . . 0.0 106.544 170.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -112.72 164.77 12.97 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.052 0.541 . . . . 0.0 109.575 -174.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' B' ' 32' ' ' TYR . 10.3 pt-20 -77.83 2.34 17.52 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.671 0.788 . . . . 0.0 111.649 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.38 -6.84 59.41 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-O 119.901 -0.388 . . . . 0.0 113.964 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.416 ' H ' ' HG3' ' B' ' 30' ' ' GLU . 4.8 t80 78.08 -51.48 0.5 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.68 1.992 . . . . 0.0 111.535 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -165.28 -58.02 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.733 0.813 . . . . 0.0 110.342 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.425 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -145.7 -169.88 3.33 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.886 0.874 . . . . 0.0 108.642 -174.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.668 ' HZ3' HG23 ' A' ' 58' ' ' THR . 17.9 ttmm -65.49 -47.72 75.08 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.462 0.574 . . . . 0.0 110.477 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.66 -44.2 73.07 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.933 0.493 . . . . 0.0 110.683 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.425 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 6.3 m -72.11 -28.89 63.58 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.01 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.35 -55.66 14.85 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.624 0.77 . . . . 0.0 110.778 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 mp -60.01 -47.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 122.883 0.473 . . . . 0.0 110.638 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -58.23 -39.22 78.5 Favored 'General case' 0 C--O 1.258 1.508 0 O-C-N 123.582 0.551 . . . . 0.0 110.679 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.28 -56.14 25.91 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.459 HG22 ' HD3' ' B' ' 46' ' ' LYS . 88.4 mt -57.32 -24.81 22.19 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 123.583 0.753 . . . . 0.0 111.895 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.545 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 46.5 mt-10 -67.04 -28.15 67.99 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 122.719 0.408 . . . . 0.0 110.819 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.3 m -55.65 -43.46 76.27 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 123.443 0.465 . . . . 0.0 112.036 165.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.495 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.8 mm -66.5 -40.82 87.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -172.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.545 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.6 mmmm -62.19 -22.02 65.58 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 114.869 -1.06 . . . . 0.0 113.446 -174.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 26.4 mmm180 -76.21 -65.82 0.87 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.894 -172.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -151.59 14.98 0.67 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.035 0.534 . . . . 0.0 111.86 -169.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.495 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 19.8 t -67.23 -33.41 75.3 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -173.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -61.16 -26.62 67.82 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.878 0.471 . . . . 0.0 112.031 172.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.32 -4.4 40.84 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-O 119.377 -0.679 . . . . 0.0 113.848 175.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.37 139.54 58.78 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.866 0.866 . . . . 0.0 110.562 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.62 154.13 42.14 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 117.881 0.31 . . . . 0.0 110.558 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 58.6 m -115.45 100.13 7.87 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.096 0.558 . . . . 0.0 109.818 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -99.24 127.77 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.949 0.899 . . . . 0.0 109.703 -177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.495 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 4.5 t70 -103.52 112.51 25.45 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.234 1.014 . . . . 0.0 109.769 172.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.11 -21.7 24.53 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 124.868 1.267 . . . . 0.0 113.001 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.648 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.7 t -91.6 -18.72 23.61 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 119.417 1.008 . . . . 0.0 113.065 -168.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.0 p . . . . . 0 N--CA 1.501 2.125 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -174.286 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 ttm . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -155.1 175.42 13.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.613 0.765 . . . . 0.0 110.466 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -162.23 -179.87 7.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.204 0.526 . . . . 0.0 112.131 -172.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.421 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 89.3 m-85 -99.34 120.49 39.66 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.643 1.177 . . . . 0.0 110.486 176.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -94.77 107.87 19.88 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.325 0.65 . . . . 0.0 110.291 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 43.6 mt -99.29 123.67 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.526 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.6 p90 -155.02 -177.41 6.51 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 120.791 0.329 . . . . 0.0 110.406 173.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -115.06 145.7 42.04 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 172.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 15.6 t70 -79.13 162.53 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -48.77 -35.15 13.64 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.973 1.309 . . . . 0.0 111.765 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.7 7.16 3.24 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.005 0.922 . . . . 0.0 112.937 177.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.35 77.13 Favored Glycine 0 C--N 1.342 0.904 0 C-N-CA 124.258 0.932 . . . . 0.0 113.156 -176.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 46.7 mt-10 -93.76 95.51 9.19 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 116.817 0.309 . . . . 0.0 111.188 -168.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -54.66 133.77 46.9 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.125 0.488 . . . . 0.0 111.261 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -156.28 138.18 14.39 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 126.004 1.721 . . . . 0.0 108.822 -172.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -114.66 138.59 50.5 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.589 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 81.8 mtp180 -118.21 161.9 19.13 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.931 0.893 . . . . 0.0 108.735 -176.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.625 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 14.2 t80 -124.31 132.27 53.55 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -99.38 -179.4 4.21 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.978 -172.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -134.56 157.31 46.88 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.094 1.358 . . . . 0.0 107.752 177.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.5 p -51.21 -26.89 7.68 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -91.19 13.12 17.97 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.015 0.926 . . . . 0.0 111.897 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.34 16.39 77.23 Favored Glycine 0 C--N 1.35 1.311 0 C-N-CA 123.322 0.487 . . . . 0.0 113.444 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 22.1 mm-40 -81.87 155.56 25.28 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.565 0.746 . . . . 0.0 109.902 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 m -117.95 147.85 42.76 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.625 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -124.01 -12.89 7.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.806 0.843 . . . . 0.0 111.814 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 6.6 p90 -159.51 160.72 34.92 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.95 0.881 . . . . 0.0 112.66 164.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.589 ' HA ' ' HG2' ' A' ' 17' ' ' ARG . 40.0 t -125.03 140.15 53.16 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 112.543 -2.117 . . . . 0.0 106.15 166.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.441 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 46.0 t -98.71 177.51 5.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.77 3.81 54.96 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 122.816 0.447 . . . . 0.0 110.131 168.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.57 -12.89 57.92 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 115.077 0.791 . . . . 0.0 115.077 170.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 t80 81.71 -57.31 0.25 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.863 1.665 . . . . 0.0 110.494 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -154.96 -56.02 0.1 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.048 0.539 . . . . 0.0 110.011 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -157.97 -172.17 3.81 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.152 0.981 . . . . 0.0 109.124 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.709 ' HD3' HG23 ' B' ' 58' ' ' THR . 22.5 pttp -71.51 -42.56 67.86 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 119.041 0.837 . . . . 0.0 111.886 -174.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.07 96.0 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.198 0.523 . . . . 0.0 110.606 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.453 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 8.2 m -66.33 -24.27 66.5 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.101 175.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.71 -40.82 65.88 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.151 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.4 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 3.0 mp -57.15 -49.8 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 118.728 0.694 . . . . 0.0 109.903 170.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -57.61 -39.49 77.01 Favored 'General case' 0 C--O 1.254 1.296 0 O-C-N 123.719 0.637 . . . . 0.0 111.171 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -62.73 -52.05 64.77 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.254 174.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.549 ' HA ' HG12 ' A' ' 45' ' ' ILE . 84.0 mt -60.25 -23.8 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 123.083 0.553 . . . . 0.0 111.745 178.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 54.7 mt-10 -65.94 -34.52 78.3 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 6.0 m -56.17 -40.33 73.73 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.608 0.568 . . . . 0.0 111.722 169.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.549 HG12 ' HA ' ' A' ' 42' ' ' ILE . 5.5 mm -66.88 -39.7 84.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 123.729 0.643 . . . . 0.0 109.667 -173.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.573 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 9.7 mmmm -63.4 -27.81 69.56 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.725 -176.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 43' ' ' GLU . 93.9 mtt180 -71.09 -54.15 12.14 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.058 -0.974 . . . . 0.0 113.316 -171.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -164.13 15.62 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.532 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.9 t -68.54 -33.25 73.77 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 121.76 -0.588 . . . . 0.0 112.038 -176.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.559 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -65.14 -15.58 62.56 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.85 -6.72 28.15 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.434 -0.648 . . . . 0.0 114.011 171.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.56 129.89 40.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.867 0.867 . . . . 0.0 112.491 -176.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.29 155.1 25.8 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.564 0.746 . . . . 0.0 111.727 -176.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.9 m -111.0 100.71 9.36 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.061 0.544 . . . . 0.0 110.391 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.4 t -100.17 124.83 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.89 0.876 . . . . 0.0 110.153 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.481 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.9 t70 -104.1 109.91 21.88 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.115 0.966 . . . . 0.0 110.113 174.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -86.82 -18.34 31.22 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.671 1.188 . . . . 0.0 112.524 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.615 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 14.0 t -91.81 20.16 5.88 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.224 0.535 . . . . 0.0 112.087 -172.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 C-N-CA 122.681 0.392 . . . . 0.0 110.327 165.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttm . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -69.47 169.02 13.31 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.524 0.678 . . . . 0.0 111.961 172.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.47 179.59 8.49 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.534 -169.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.457 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 76.3 m-85 -98.89 119.81 38.28 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.762 1.225 . . . . 0.0 110.562 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -94.39 108.02 19.95 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.22 0.608 . . . . 0.0 109.832 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.481 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 47.7 mt -99.41 124.23 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.615 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 30.2 p90 -155.27 -177.47 6.57 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 173.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.492 HE21 ' HA2' ' B' ' 12' ' ' GLY . 10.5 pt20 -115.05 145.05 42.7 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 172.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.54 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 23.6 t70 -78.41 162.43 26.43 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.827 0.851 . . . . 0.0 108.812 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -47.98 -34.48 9.35 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.752 1.221 . . . . 0.0 112.872 177.023 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.502 ' N ' ' HD2' ' B' ' 10' ' ' LYS . . . -76.29 7.41 4.32 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.079 0.952 . . . . 0.0 112.601 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . 0.492 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 77.06 19.66 76.97 Favored Glycine 0 C--N 1.343 0.923 0 C-N-CA 124.298 0.952 . . . . 0.0 113.324 -176.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.54 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 39.8 mt-10 -94.27 95.76 9.14 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.769 0.284 . . . . 0.0 111.443 -169.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -55.36 131.18 45.1 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.491 0.494 . . . . 0.0 111.184 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -152.61 138.86 18.38 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 126.352 1.861 . . . . 0.0 108.222 -173.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -114.3 138.17 50.85 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 168.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.656 ' HE ' HG21 ' B' ' 25' ' ' THR . 82.8 mtp180 -116.32 161.81 18.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.372 1.069 . . . . 0.0 108.575 -177.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.619 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 13.4 t80 -124.1 132.48 53.66 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -99.37 -179.57 4.26 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.948 -172.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -134.09 157.36 46.35 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.072 1.349 . . . . 0.0 107.71 176.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 16.2 m -51.58 -26.57 8.97 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.614 1.166 . . . . 0.0 113.409 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.46 ' HB2' ' HG2' ' B' ' 24' ' ' GLU . 64.0 m-20 -91.15 12.88 18.63 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.058 0.943 . . . . 0.0 111.749 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.21 16.42 77.0 Favored Glycine 0 C--N 1.35 1.317 0 C-N-CA 123.56 0.6 . . . . 0.0 113.689 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 20.8 mm-40 -81.68 155.55 25.51 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.675 0.79 . . . . 0.0 109.307 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.656 HG21 ' HE ' ' B' ' 17' ' ' ARG . 22.4 m -117.69 148.03 42.37 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 171.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.619 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.5 ppp? -123.87 -12.65 7.52 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.699 0.8 . . . . 0.0 111.82 -177.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.509 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 6.8 p90 -159.96 160.74 33.77 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.858 0.837 . . . . 0.0 112.51 164.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' B' ' 17' ' ' ARG . 46.3 t -125.1 140.43 52.89 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 112.496 -2.138 . . . . 0.0 106.045 166.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' B' ' 27' ' ' PHE . 43.8 t -99.17 178.04 5.03 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -93.58 3.93 54.74 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.05 -13.39 54.65 Favored Glycine 0 C--N 1.363 2.054 0 N-CA-C 115.365 0.906 . . . . 0.0 115.365 170.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 34.1 t80 81.06 -56.66 0.29 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.007 1.723 . . . . 0.0 110.748 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -154.76 -55.89 0.1 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.071 0.548 . . . . 0.0 109.93 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.464 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -158.38 -172.29 3.81 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.995 0.918 . . . . 0.0 108.947 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -42.17 67.61 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 119.019 0.827 . . . . 0.0 111.865 -174.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.99 95.67 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.14 0.495 . . . . 0.0 110.589 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.464 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 16.5 m -66.72 -23.96 66.17 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.245 175.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.26 -40.49 64.56 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.028 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 mp -56.99 -48.9 80.89 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 CA-C-N 118.857 0.753 . . . . 0.0 110.092 170.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -59.41 -39.19 82.65 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.687 0.756 . . . . 0.0 110.637 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -62.79 -52.09 64.53 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.252 174.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.537 ' HA ' HG12 ' B' ' 45' ' ' ILE . 87.2 mt -60.05 -24.09 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.106 0.563 . . . . 0.0 111.604 177.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 44.8 mt-10 -65.95 -34.16 77.48 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 119.16 -0.447 . . . . 0.0 109.857 177.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 21.7 m -56.3 -40.47 74.37 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.643 0.59 . . . . 0.0 111.676 169.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.538 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.0 mm -66.48 -39.89 85.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.755 -174.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.1 mmmm -63.63 -27.73 69.43 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.398 -176.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 19.2 mmt180 -71.19 -54.17 11.92 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.58 -170.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -164.3 15.57 0.05 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -170.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.538 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 13.6 t -68.63 -33.3 73.78 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.552 -0.718 . . . . 0.0 112.121 -177.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -65.7 -15.25 62.62 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 172.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.37 -7.38 28.35 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-O 119.471 -0.627 . . . . 0.0 114.045 171.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.32 129.58 40.18 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.115 0.966 . . . . 0.0 112.427 -175.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.48 154.46 24.44 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.01 0.924 . . . . 0.0 111.8 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.6 m -111.07 100.38 9.07 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.199 0.6 . . . . 0.0 110.311 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 58.5 t -99.72 125.62 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.741 0.816 . . . . 0.0 110.286 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.451 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 8.8 t70 -104.88 110.39 22.74 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.529 0.731 . . . . 0.0 109.867 174.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.46 -19.49 29.51 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.579 1.152 . . . . 0.0 112.426 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.709 HG23 ' HD3' ' A' ' 35' ' ' LYS . 12.3 t -98.14 15.87 22.98 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.178 0.514 . . . . 0.0 111.139 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 166.846 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.2 ttm . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -154.19 176.08 12.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.054 0.942 . . . . 0.0 110.455 175.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.539 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -159.96 176.66 11.61 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.797 -173.571 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -100.79 119.58 38.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.489 1.116 . . . . 0.0 109.346 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -94.93 112.91 24.59 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.411 HD11 HD12 ' A' ' 42' ' ' ILE . 51.7 mt -106.51 121.55 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.617 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 47.0 p90 -158.1 -175.85 5.58 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.4 0.619 . . . . 0.0 110.792 177.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.447 HE21 ' HA2' ' A' ' 12' ' ' GLY . 13.9 pt20 -119.06 145.84 45.57 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 171.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -104.26 -179.03 3.83 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -177.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -35.45 1.78 Allowed 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 126.085 1.754 . . . . 0.0 114.815 -173.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.28 9.73 4.35 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.549 0.739 . . . . 0.0 112.115 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.447 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 61.41 24.53 63.83 Favored Glycine 0 C--N 1.357 1.717 0 C-N-CA 123.899 0.761 . . . . 0.0 112.047 -169.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -98.78 134.49 41.6 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -168.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.464 ' O ' ' HD3' ' A' ' 15' ' ' ARG . 57.1 m-85 -92.24 130.1 38.03 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -172.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.464 ' HD3' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -139.25 137.11 35.64 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.774 1.63 . . . . 0.0 108.511 -179.409 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -118.69 133.37 55.9 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 167.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -127.03 158.13 37.77 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.953 0.901 . . . . 0.0 108.982 -174.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.667 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 14.1 t80 -116.48 132.42 56.68 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -100.3 179.96 4.3 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.64 -1.163 . . . . 0.0 111.147 -171.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.41 160.08 36.14 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.434 1.094 . . . . 0.0 108.666 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.1 m -44.38 -37.2 3.22 Favored 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -102.76 16.15 27.31 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 122.655 0.382 . . . . 0.0 111.873 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.23 12.28 65.68 Favored Glycine 0 N--CA 1.472 1.072 0 N-CA-C 114.853 0.701 . . . . 0.0 114.853 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -76.91 157.91 31.06 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.989 0.516 . . . . 0.0 110.512 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.9 m -120.27 139.41 52.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.155 0.582 . . . . 0.0 109.441 174.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.667 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.8 ppp? -115.84 -24.78 8.02 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.779 0.832 . . . . 0.0 111.722 -174.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.434 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 3.1 p90 -147.12 154.62 41.34 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.5 0.667 . . . . 0.0 111.241 168.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.5 t -127.08 135.03 50.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 166.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 35.8 t -93.48 -175.72 3.88 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -87.94 -4.68 58.8 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 171.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.45 -18.25 55.26 Favored Glycine 0 C--N 1.356 1.669 0 C-N-CA 123.532 0.587 . . . . 0.0 113.473 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.2 t80 81.81 -51.19 0.24 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.218 1.807 . . . . 0.0 110.925 174.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -162.2 -53.97 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.859 0.864 . . . . 0.0 109.489 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.1 -171.67 3.14 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.15 0.98 . . . . 0.0 108.462 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.37 -40.05 74.22 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 118.736 0.698 . . . . 0.0 112.242 -173.682 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.438 ' N ' ' HD3' ' A' ' 35' ' ' LYS . . . -60.76 -42.93 98.4 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 118.135 0.425 . . . . 0.0 110.942 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -67.95 -25.98 65.72 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.088 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.3 -47.06 52.82 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 123.741 0.65 . . . . 0.0 110.875 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.426 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.1 mp -53.51 -53.27 25.98 Favored 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 123.17 0.588 . . . . 0.0 110.52 171.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -61.21 -36.27 79.45 Favored 'General case' 0 C--O 1.255 1.394 0 O-C-N 123.662 0.601 . . . . 0.0 111.764 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -61.1 -54.15 48.14 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 174.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.45 ' HA ' HG12 ' A' ' 45' ' ' ILE . 94.3 mt -60.08 -22.0 23.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 123.143 0.577 . . . . 0.0 112.069 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 44.7 mt-10 -71.12 -27.42 63.56 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 122.111 -0.368 . . . . 0.0 110.049 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 39.1 m -55.92 -41.69 74.95 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 123.727 0.642 . . . . 0.0 112.028 165.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.45 HG12 ' HA ' ' A' ' 42' ' ' ILE . 4.3 mm -68.9 -40.08 80.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -173.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.4 mmmm -64.51 -18.68 65.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.073 0.949 . . . . 0.0 113.255 -176.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 28.0 mmt180 -70.49 -69.83 0.34 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 124.036 0.835 . . . . 0.0 111.709 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -154.96 16.28 0.42 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.536 0.734 . . . . 0.0 110.502 -170.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.431 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.7 t -64.78 -31.86 73.28 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.535 -0.728 . . . . 0.0 112.655 -174.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.84 -25.72 68.29 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.783 0.433 . . . . 0.0 111.781 172.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.41 4.82 33.18 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.835 -0.425 . . . . 0.0 113.603 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.6 174.82 0.7 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.691 0.796 . . . . 0.0 112.091 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.599 ' HB2' ' HB3' ' B' ' 3' ' ' LYS . 10.1 m-20 -100.63 153.94 19.0 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.9 m -115.86 108.03 15.78 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.099 0.56 . . . . 0.0 109.697 175.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -109.12 127.74 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.245 1.018 . . . . 0.0 109.731 -177.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -107.29 110.03 21.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.314 0.646 . . . . 0.0 109.562 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.485 ' HB2' ' HB3' ' B' ' 7' ' ' TYR . 2.6 mm? -83.16 -19.4 36.69 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.563 1.145 . . . . 0.0 111.985 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.519 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.5 t -88.38 25.07 1.74 Allowed 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -172.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.473 0.697 0 C-N-CA 124.805 1.242 . . . . 0.0 108.564 166.447 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.4 ttt . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -76.5 177.9 7.05 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.519 0.728 . . . . 0.0 112.552 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . 0.599 ' HB3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -164.17 177.01 8.71 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.541 -171.36 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -100.71 119.6 38.84 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.466 1.107 . . . . 0.0 109.32 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -95.11 112.44 24.14 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mt -106.16 121.0 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.519 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 27.3 p90 -158.24 -175.97 5.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.45 0.643 . . . . 0.0 111.546 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.487 HE21 ' HA2' ' B' ' 12' ' ' GLY . 13.2 pt20 -118.66 146.88 44.34 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 172.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -106.3 179.65 4.21 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -43.64 -35.39 1.76 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.086 1.754 . . . . 0.0 114.844 -172.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.27 10.18 3.92 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.437 0.695 . . . . 0.0 112.104 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . 0.487 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 61.55 24.68 64.3 Favored Glycine 0 C--N 1.356 1.663 0 C-N-CA 123.79 0.71 . . . . 0.0 112.061 -169.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -99.09 133.35 43.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.352 0.661 . . . . 0.0 109.502 -168.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -91.84 130.0 37.69 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -172.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.87 137.33 34.81 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.495 1.518 . . . . 0.0 108.816 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -118.49 133.12 56.12 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 167.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.27 158.25 37.69 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.992 0.917 . . . . 0.0 110.028 -175.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.644 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 15.8 t80 -116.4 132.09 56.77 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -100.5 179.51 4.42 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.062 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.76 159.33 37.61 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.592 1.157 . . . . 0.0 108.899 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 37.2 m -43.81 -37.01 2.54 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -102.9 16.26 27.11 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 118.184 0.447 . . . . 0.0 111.684 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.45 11.75 65.98 Favored Glycine 0 N--CA 1.474 1.218 0 N-CA-C 114.541 0.576 . . . . 0.0 114.541 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -76.24 158.23 31.81 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 117.166 0.483 . . . . 0.0 110.429 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -120.48 139.21 53.21 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.644 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.8 ppp? -115.76 -24.67 8.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.921 0.888 . . . . 0.0 111.779 -174.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.439 ' HD1' ' SD ' ' B' ' 26' ' ' MET . 3.2 p90 -147.18 154.45 41.08 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.373 0.606 . . . . 0.0 111.191 167.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.5 t -126.45 135.59 51.57 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 166.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 32.6 t -93.62 -175.66 3.84 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -177.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -88.67 -4.16 58.61 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 171.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.4 -17.76 56.49 Favored Glycine 0 C--N 1.359 1.854 0 CA-C-O 119.562 -0.577 . . . . 0.0 113.359 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 11.0 t80 81.34 -51.19 0.28 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 126.25 1.82 . . . . 0.0 110.704 174.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -162.43 -53.67 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.792 0.837 . . . . 0.0 109.514 173.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.66 -171.66 3.02 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' B' ' 36' ' ' ALA . 0.1 OUTLIER -70.54 -39.84 73.76 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 118.64 0.654 . . . . 0.0 112.127 -173.302 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.456 ' N ' ' HD3' ' B' ' 35' ' ' LYS . . . -60.55 -43.21 97.49 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 118.251 0.478 . . . . 0.0 110.968 177.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 49.4 m -68.04 -25.7 65.5 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.239 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.31 -47.07 52.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.186 0.595 . . . . 0.0 110.903 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -53.89 -52.72 33.09 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 C-N-CA 123.078 0.551 . . . . 0.0 110.378 172.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -61.37 -36.32 79.89 Favored 'General case' 0 C--O 1.257 1.448 0 C-N-CA 123.319 0.648 . . . . 0.0 111.743 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -61.17 -54.21 47.3 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 174.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.431 ' HA ' HG12 ' B' ' 45' ' ' ILE . 96.9 mt -59.86 -22.8 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.387 0.675 . . . . 0.0 112.046 178.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.461 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 43.2 mt-10 -69.85 -28.12 65.41 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 25.0 m -56.16 -41.39 75.38 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.726 0.641 . . . . 0.0 111.803 165.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.431 HG12 ' HA ' ' B' ' 42' ' ' ILE . 4.8 mm -69.14 -39.61 79.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.9 mmmm -65.64 -18.45 65.34 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.757 -176.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 51.6 mmt-85 -69.29 -71.49 0.22 Allowed 'General case' 0 N--CA 1.478 0.933 0 O-C-N 124.039 0.837 . . . . 0.0 111.532 -176.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -153.86 16.46 0.5 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.523 0.729 . . . . 0.0 110.784 -170.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.429 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.7 t -65.55 -31.31 72.29 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.08 -25.6 68.18 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 122.691 0.396 . . . . 0.0 111.674 172.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.57 5.13 32.95 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-O 119.525 -0.597 . . . . 0.0 113.638 174.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.21 175.03 0.59 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.673 0.789 . . . . 0.0 112.084 172.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 32.4 t70 -101.59 153.86 19.37 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.9 m -115.85 108.18 15.97 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 40.7 t -108.72 127.76 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.445 1.098 . . . . 0.0 109.704 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.9 t70 -107.14 110.23 22.27 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.544 0.738 . . . . 0.0 109.549 173.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.495 ' HB2' ' HB3' ' A' ' 7' ' ' TYR . 2.5 mm? -83.79 -21.42 32.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.674 1.19 . . . . 0.0 112.487 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.617 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 12.8 t -86.66 8.43 22.41 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.869 0.758 . . . . 0.0 111.686 -169.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 169.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -74.18 154.23 39.16 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.346 0.594 . . . . 0.0 111.203 170.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.27 176.67 9.69 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.511 -167.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -100.93 115.41 30.37 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.652 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -93.25 112.84 24.89 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.468 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 50.4 mt -101.01 109.59 25.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.678 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 32.9 p90 -132.79 -179.54 5.53 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 7.9 pt20 -123.29 143.78 49.85 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 163.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.19 159.32 27.43 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.12 0.968 . . . . 0.0 108.661 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.43 -33.04 3.64 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 125.674 1.59 . . . . 0.0 113.091 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.39 9.46 2.63 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.38 1.072 . . . . 0.0 112.256 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.72 26.54 74.44 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 124.041 0.829 . . . . 0.0 112.875 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 56.8 mt-10 -105.1 102.78 12.26 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.078 0.551 . . . . 0.0 109.711 -172.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.457 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 67.9 m-85 -54.12 128.94 32.9 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.99 0.424 . . . . 0.0 112.044 174.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.497 ' NH1' ' HA ' ' A' ' 30' ' ' GLU . 15.9 mmt180 -137.56 138.41 39.57 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.833 1.653 . . . . 0.0 108.388 -176.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -123.74 131.72 53.66 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 170.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -114.93 169.06 9.37 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.484 0.714 . . . . 0.0 110.044 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.579 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.2 t80 -123.98 133.61 53.65 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 171.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -101.91 -177.56 3.45 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.519 -1.219 . . . . 0.0 111.215 -172.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -132.17 159.92 37.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.979 1.312 . . . . 0.0 108.044 174.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.6 p -48.97 -31.98 8.36 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.429 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 86.3 m-20 -86.81 10.88 14.62 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.682 0.793 . . . . 0.0 112.381 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.91 12.55 83.87 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-O 119.89 -0.394 . . . . 0.0 113.086 -175.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.562 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 33.1 mm-40 -75.91 157.33 33.35 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.57 0.748 . . . . 0.0 110.056 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 m -119.21 150.65 39.71 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.579 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 2.1 ppp? -128.51 -29.82 2.39 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.457 0.703 . . . . 0.0 111.781 -176.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.433 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 4.4 p90 -141.34 154.55 45.74 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.558 0.617 . . . . 0.0 111.029 167.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.5 t -130.67 134.51 47.0 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 105.712 -1.958 . . . . 0.0 105.712 165.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.438 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 35.1 t -95.11 176.57 6.18 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.241 0.617 . . . . 0.0 109.637 -173.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.497 ' HA ' ' NH1' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -89.84 0.95 56.73 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.695 0.798 . . . . 0.0 110.884 171.145 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 88.24 -11.07 68.74 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-O 119.727 -0.485 . . . . 0.0 113.996 173.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 t80 78.38 -58.17 0.45 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.775 1.63 . . . . 0.0 111.458 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -158.85 -59.18 0.07 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.428 0.691 . . . . 0.0 110.148 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -151.48 -172.44 4.21 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.193 0.997 . . . . 0.0 108.482 -175.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -69.59 -47.96 61.76 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 118.918 0.781 . . . . 0.0 111.238 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.6 -41.87 77.75 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 121.346 0.593 . . . . 0.0 110.54 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.446 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.1 m -68.1 -29.23 68.11 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.056 176.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.18 64.23 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 123.596 0.758 . . . . 0.0 110.688 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.419 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.3 mp -55.64 -51.46 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.004 0.522 . . . . 0.0 110.718 172.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -59.44 -36.84 76.7 Favored 'General case' 0 C--O 1.256 1.395 0 C-N-CA 123.231 0.612 . . . . 0.0 111.443 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.452 ' HB1' ' HE2' ' B' ' 26' ' ' MET . . . -60.38 -55.9 27.92 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.352 172.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.91 -27.11 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.401 0.68 . . . . 0.0 111.623 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 45.8 mt-10 -65.1 -30.8 71.77 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 119.353 -0.356 . . . . 0.0 110.674 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 19.7 m -54.22 -41.19 68.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 123.593 0.558 . . . . 0.0 111.678 168.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.512 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.2 mm -69.37 -43.65 80.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.514 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 9.2 mmmm -60.95 -25.24 66.67 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.247 1.019 . . . . 0.0 112.816 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 12.5 mmm180 -61.57 -67.14 0.44 Allowed 'General case' 0 N--CA 1.48 1.053 0 O-C-N 124.307 1.004 . . . . 0.0 111.174 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -165.0 17.79 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.557 0.343 . . . . 0.0 111.22 -168.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.512 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.9 t -63.48 -31.98 73.3 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -172.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.36 -30.77 69.77 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.163 0.585 . . . . 0.0 111.554 172.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.5 0.56 46.28 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-O 119.239 -0.756 . . . . 0.0 113.732 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.13 163.06 10.67 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 117.675 0.738 . . . . 0.0 111.326 174.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -86.76 158.73 19.33 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 122.177 -0.327 . . . . 0.0 110.145 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.8 m -119.74 103.48 9.41 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.365 0.666 . . . . 0.0 109.759 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 t -98.62 133.38 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.087 0.955 . . . . 0.0 110.131 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.529 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 7.7 p-10 -102.98 105.65 16.02 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.012 0.925 . . . . 0.0 110.17 173.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.98 -32.28 39.81 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.295 1.038 . . . . 0.0 111.915 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.623 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.0 t -87.36 -12.42 46.43 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.788 0.435 . . . . 0.0 111.889 -167.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.412 HG23 HG23 ' A' ' 58' ' ' THR . 12.0 p . . . . . 0 N--CA 1.479 1.021 0 C-N-CA 123.548 0.739 . . . . 0.0 109.819 -171.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ttt . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -79.95 146.12 32.24 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.49 0.662 . . . . 0.0 110.111 170.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.68 176.87 10.5 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.735 -163.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -100.55 115.22 29.62 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.265 1.026 . . . . 0.0 109.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -93.44 112.69 24.66 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.529 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 47.3 mt -101.13 109.41 25.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.623 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 31.0 p90 -132.19 -178.87 5.1 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' B' ' 14' ' ' TYR . 7.9 pt20 -123.33 143.44 50.09 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 163.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -78.61 158.97 28.31 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.464 1.106 . . . . 0.0 108.727 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -46.07 -32.77 3.05 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.596 1.558 . . . . 0.0 113.265 177.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.416 ' N ' ' HD3' ' B' ' 10' ' ' LYS . . . -76.66 9.24 2.91 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 124.58 1.152 . . . . 0.0 112.371 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.67 26.51 74.43 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 123.893 0.759 . . . . 0.0 112.839 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.431 ' HB3' ' NH1' ' B' ' 15' ' ' ARG . 40.8 mt-10 -104.72 103.57 13.22 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 119.133 -0.46 . . . . 0.0 109.965 -173.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.441 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 79.7 m-85 -54.49 128.82 33.64 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 121.102 0.477 . . . . 0.0 111.806 174.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' B' ' 29' ' ' SER . 1.9 mpt_? -136.78 138.71 41.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.236 1.815 . . . . 0.0 108.413 -176.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -124.06 131.22 53.53 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 169.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.513 ' HD2' HG21 ' B' ' 25' ' ' THR . 28.4 mtm180 -113.37 169.08 9.21 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.931 0.892 . . . . 0.0 109.731 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.614 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 15.9 t80 -124.67 133.75 53.11 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 169.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -102.22 -177.72 3.49 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 114.519 -1.218 . . . . 0.0 111.271 -171.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -132.07 159.63 38.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.751 1.22 . . . . 0.0 108.119 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -48.55 -32.13 7.55 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.535 1.134 . . . . 0.0 113.757 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -86.3 10.31 15.22 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.791 0.836 . . . . 0.0 112.487 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.15 12.61 83.98 Favored Glycine 0 C--N 1.346 1.106 0 C-N-CA 123.031 0.348 . . . . 0.0 113.22 -175.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.567 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 30.5 mm-40 -76.35 156.65 33.11 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.724 0.81 . . . . 0.0 110.214 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.513 HG21 ' HD2' ' B' ' 17' ' ' ARG . 8.3 m -118.91 150.8 39.28 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.614 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 2.1 ppp? -128.66 -30.1 2.33 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.484 0.714 . . . . 0.0 111.867 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.432 ' N ' ' SD ' ' B' ' 26' ' ' MET . 3.8 p90 -141.06 154.22 45.85 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.435 0.636 . . . . 0.0 110.997 167.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.9 t -129.62 134.63 47.8 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 165.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.457 ' O ' ' HG3' ' B' ' 15' ' ' ARG . 40.3 t -95.78 177.48 5.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -173.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -91.48 1.89 56.81 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.226 0.61 . . . . 0.0 109.968 172.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 87.33 -10.87 67.4 Favored Glycine 0 C--N 1.352 1.461 0 C-N-CA 123.393 0.52 . . . . 0.0 114.285 174.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 26.7 t80 78.38 -57.99 0.45 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.843 1.657 . . . . 0.0 111.43 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -158.63 -59.3 0.07 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.29 0.636 . . . . 0.0 110.229 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.442 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -151.48 -172.03 4.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.218 1.007 . . . . 0.0 108.612 -175.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -46.87 64.1 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-N 118.93 0.786 . . . . 0.0 111.2 -177.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.57 -42.0 82.18 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.333 0.587 . . . . 0.0 110.516 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.442 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 8.2 m -67.85 -29.28 68.37 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.218 176.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.36 -46.32 64.33 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 123.631 0.772 . . . . 0.0 110.544 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.69 -51.46 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.175 0.59 . . . . 0.0 110.68 172.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -60.09 -36.29 77.06 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.691 0.62 . . . . 0.0 110.852 -178.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.464 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -60.78 -55.5 32.36 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 173.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 80.6 mt -57.11 -26.98 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.354 0.662 . . . . 0.0 111.691 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.524 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 45.0 mt-10 -65.13 -31.37 72.54 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 119.372 -0.347 . . . . 0.0 110.273 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 33.5 m -53.94 -41.19 67.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 123.61 0.569 . . . . 0.0 111.39 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.515 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.2 mm -69.42 -43.31 80.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -174.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.524 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 9.0 mmmm -61.51 -25.15 67.09 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.25 1.02 . . . . 0.0 112.685 -176.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 62.7 mmt-85 -61.38 -67.08 0.44 Allowed 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.296 0.998 . . . . 0.0 111.075 -177.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -165.13 17.94 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.539 0.336 . . . . 0.0 111.314 -168.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.515 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 22.6 t -63.97 -31.62 72.86 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -173.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.18 -29.72 69.97 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.897 0.479 . . . . 0.0 111.434 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.6 -0.31 46.29 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-O 119.436 -0.647 . . . . 0.0 113.481 177.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.68 163.09 9.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.465 0.706 . . . . 0.0 111.252 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -87.3 159.06 18.91 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 38.5 m -120.2 103.16 9.02 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.274 0.63 . . . . 0.0 109.69 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 57.6 t -97.99 132.92 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.245 1.018 . . . . 0.0 110.325 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.468 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 4.8 t70 -102.2 108.13 19.42 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.774 0.829 . . . . 0.0 109.81 172.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.45 -32.22 29.07 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.044 0.938 . . . . 0.0 112.369 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.678 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.3 t -81.95 -2.77 52.52 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -165.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p . . . . . 0 N--CA 1.498 1.968 0 C-N-CA 126.091 1.756 . . . . 0.0 114.887 -177.744 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttm . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -68.05 163.55 22.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.026 0.53 . . . . 0.0 111.155 167.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.5 ' HE2' ' HG2' ' A' ' 5' ' ' GLU . 0.6 OUTLIER -165.2 -179.55 5.69 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.194 -170.077 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.44 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 96.7 m-85 -100.32 114.94 28.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.364 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.5 ' HG2' ' HE2' ' A' ' 3' ' ' LYS . 37.0 mt-10 -94.35 109.77 21.58 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.533 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 30.7 mt -94.25 113.16 28.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.331 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -175.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.712 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 22.1 p90 -136.5 161.23 36.44 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -102.06 145.85 28.74 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.446 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 28.3 t70 -78.8 160.7 27.25 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -47.53 -34.53 7.7 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.392 1.477 . . . . 0.0 112.101 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.77 9.03 1.61 Allowed 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.371 1.068 . . . . 0.0 113.022 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.27 29.37 73.19 Favored Glycine 0 C--N 1.351 1.386 0 C-N-CA 124.214 0.912 . . . . 0.0 113.14 -175.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.446 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 53.7 mt-10 -95.07 93.26 7.26 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -57.44 120.63 8.56 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 121.681 0.753 . . . . 0.0 111.961 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -136.05 171.59 14.24 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.008 1.723 . . . . 0.0 109.943 -167.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -143.15 141.65 31.24 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 114.558 -1.201 . . . . 0.0 107.861 165.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' HG2' ' HB2' ' A' ' 5' ' ' GLU . 12.2 ptm180 -117.55 148.14 42.15 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.647 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 12.3 t80 -109.79 130.42 55.52 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -98.87 -178.2 3.88 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.698 -173.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.6 161.93 33.31 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.133 0.973 . . . . 0.0 109.18 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.9 p -54.24 -30.11 49.11 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.12 0.968 . . . . 0.0 113.506 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -83.96 -15.58 47.3 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.437 0.695 . . . . 0.0 111.431 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.36 50.98 3.25 Favored Glycine 0 C--N 1.343 0.939 0 C-N-CA 122.801 0.239 . . . . 0.0 112.7 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -128.0 129.55 46.91 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.8 m -85.84 129.23 34.89 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.647 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.4 ppp? -105.12 -16.86 14.67 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.568 -175.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.613 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 9.9 p90 -157.11 164.72 37.56 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 121.92 0.867 . . . . 0.0 111.15 162.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.5 t -137.28 147.38 45.64 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 112.95 -1.932 . . . . 0.0 107.111 165.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.2 m -78.36 161.04 27.47 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -176.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -33.44 74.95 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.706 0.803 . . . . 0.0 111.046 173.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' HA3' ' HB3' ' A' ' 13' ' ' GLU . . . 114.82 51.35 0.45 Allowed Glycine 0 C--N 1.337 0.603 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.712 -171.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -16.84 -65.8 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -163.56 -66.74 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.955 0.407 . . . . 0.0 111.277 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -149.59 176.37 10.7 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.651 0.78 . . . . 0.0 109.31 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -65.12 -49.58 69.4 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.147 0.579 . . . . 0.0 109.851 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.02 71.36 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.325 0.65 . . . . 0.0 110.999 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.43 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 36.3 m -69.17 -29.74 67.8 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.8 177.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.64 -48.21 64.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.155 0.582 . . . . 0.0 110.582 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.416 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 mp -58.56 -47.08 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 122.925 0.49 . . . . 0.0 110.669 173.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -55.38 -40.03 70.87 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.565 0.746 . . . . 0.0 111.457 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -62.33 -52.02 65.3 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.935 174.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.424 ' HA ' HG12 ' A' ' 45' ' ' ILE . 61.8 mt -58.76 -28.12 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 122.594 0.358 . . . . 0.0 111.754 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 47.6 mt-10 -66.12 -33.57 76.07 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 9.3 m -56.83 -39.15 73.7 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.904 0.753 . . . . 0.0 111.693 170.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.533 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.9 mm -67.51 -41.47 85.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -176.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.0 mmmm -64.8 -24.9 67.69 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.858 -176.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 22.0 mmt180 -64.08 -54.26 36.87 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.876 -175.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -173.0 17.43 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -170.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.533 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 20.1 t -65.18 -31.86 73.25 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.62 -0.675 . . . . 0.0 112.802 -175.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -66.19 -19.38 65.81 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 172.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.83 -4.4 34.02 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.217 0.436 . . . . 0.0 113.367 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.92 139.66 56.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.884 0.873 . . . . 0.0 111.083 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -70.61 160.71 32.04 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 122.803 0.441 . . . . 0.0 111.199 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.8 m -117.63 100.12 7.42 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.187 0.595 . . . . 0.0 110.438 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.11 122.54 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.757 1.223 . . . . 0.0 109.78 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.489 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.4 t0 -100.31 112.39 24.73 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.699 0.285 . . . . 0.0 110.965 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' B' ' 5' ' ' GLU . 26.5 mt -81.11 -32.84 33.64 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.998 0.919 . . . . 0.0 111.961 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.605 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 14.6 t -89.01 -3.54 58.69 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 122.718 0.407 . . . . 0.0 111.183 -166.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.24 0.601 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 176.499 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ttt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -65.19 158.1 27.0 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 121.071 0.462 . . . . 0.0 111.749 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.82 179.51 7.04 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.472 -165.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.501 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 86.2 m-85 -100.21 114.59 28.14 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.671 1.188 . . . . 0.0 109.412 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 57' ' ' LEU . 34.3 mt-10 -94.6 109.24 21.17 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 34.7 mt -93.81 113.2 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 -175.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.605 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 31.2 p90 -137.11 161.83 35.04 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.478 HE21 ' HA2' ' B' ' 12' ' ' GLY . 9.5 pt20 -104.14 143.9 32.3 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 171.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.563 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 31.1 t70 -77.38 160.38 28.81 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 173.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -34.03 4.73 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.465 1.506 . . . . 0.0 112.647 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.8 9.77 2.16 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.511 1.124 . . . . 0.0 112.705 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . 0.478 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 68.07 29.98 73.73 Favored Glycine 0 C--N 1.347 1.14 0 C-N-CA 124.04 0.828 . . . . 0.0 113.088 -176.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.563 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 67.5 mm-40 -95.05 93.78 7.58 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.72 0.408 . . . . 0.0 110.143 -175.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -58.81 120.07 8.33 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.754 0.788 . . . . 0.0 112.002 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -135.11 171.44 14.43 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.254 1.821 . . . . 0.0 109.932 -167.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -143.38 141.35 30.87 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 114.518 -1.219 . . . . 0.0 107.715 165.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -117.65 149.54 40.53 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.655 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 12.3 t80 -110.61 130.37 55.58 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -99.36 -178.19 3.83 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.523 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.1 162.17 32.84 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.217 1.007 . . . . 0.0 108.871 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 46.3 m -55.05 -29.38 57.37 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -84.69 -15.1 46.44 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.177 0.591 . . . . 0.0 111.811 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.67 50.14 3.42 Favored Glycine 0 C--N 1.341 0.861 0 C-N-CA 123.126 0.393 . . . . 0.0 112.378 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -126.13 129.72 49.62 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 27.0 m -85.54 128.04 34.63 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.449 0.699 . . . . 0.0 109.698 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.655 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.5 ppp? -104.54 -16.54 15.01 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.688 -174.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.608 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 10.7 p90 -157.43 164.54 37.36 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 121.863 0.839 . . . . 0.0 110.953 162.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -136.47 146.45 46.32 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 112.966 -1.925 . . . . 0.0 106.972 165.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -77.38 161.28 28.14 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.88 -33.41 75.24 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 173.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.56 63.42 0.34 Allowed Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.9 -169.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -47.36 -53.79 12.89 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.884 1.274 . . . . 0.0 112.525 -159.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -163.61 -67.31 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.833 0.349 . . . . 0.0 111.377 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -148.63 176.93 9.93 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.649 0.78 . . . . 0.0 109.292 -174.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -64.55 -49.83 69.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.392 0.677 . . . . 0.0 109.786 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.22 -41.93 72.69 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.42 0.688 . . . . 0.0 110.684 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 13.4 m -69.48 -29.27 66.89 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.786 0.834 . . . . 0.0 111.458 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -48.23 61.51 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.238 0.615 . . . . 0.0 110.438 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 mp -58.07 -46.79 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.124 0.57 . . . . 0.0 110.822 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -57.05 -38.97 73.97 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.438 0.695 . . . . 0.0 111.235 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -62.58 -51.92 65.44 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.79 174.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.401 ' HA ' HG12 ' B' ' 45' ' ' ILE . 66.6 mt -58.94 -28.36 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 122.65 0.38 . . . . 0.0 111.602 177.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 43.7 mt-10 -66.12 -33.2 75.25 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.319 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.448 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 18.6 m -57.25 -38.84 74.43 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.821 0.701 . . . . 0.0 111.612 170.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.519 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.0 mm -67.69 -41.21 85.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -176.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.9 mmmm -65.84 -24.39 66.88 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.772 -176.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 28.1 mmt85 -63.4 -55.19 26.37 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.126 -176.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -172.05 17.51 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -170.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.519 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 18.2 t -65.18 -31.6 72.86 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.504 -0.747 . . . . 0.0 112.675 -175.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -66.16 -19.58 65.88 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.8 -4.57 34.04 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-O 119.853 -0.415 . . . . 0.0 113.637 172.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 139.08 57.05 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.809 0.844 . . . . 0.0 111.218 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -69.8 160.86 30.96 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 122.636 0.374 . . . . 0.0 111.529 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.413 HG23 HD13 ' A' ' 42' ' ' ILE . 32.4 m -117.85 100.36 7.53 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.209 0.604 . . . . 0.0 110.12 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 80.1 t -101.66 122.55 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.644 1.178 . . . . 0.0 109.756 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.533 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 10.2 t70 -100.44 112.4 24.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.566 0.346 . . . . 0.0 110.79 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -82.59 -35.32 27.18 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.407 1.083 . . . . 0.0 112.078 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.712 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.1 t -77.53 -13.33 59.94 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -161.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 66.1 p . . . . . 0 N--CA 1.483 1.195 0 CA-C-N 118.154 0.433 . . . . 0.0 110.821 178.807 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttm . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.34 157.39 19.92 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.445 0.64 . . . . 0.0 111.887 171.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -159.9 177.01 11.23 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.951 -167.725 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 97.5 m-85 -103.54 114.36 28.57 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.2 1.0 . . . . 0.0 109.893 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -95.45 110.11 22.2 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -98.29 130.56 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.626 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 44.9 p90 -144.87 178.48 7.99 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.967 0.507 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -121.07 146.84 46.31 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 167.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.551 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.1 t70 -101.41 -176.35 3.12 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -42.32 -37.69 1.6 Allowed 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 126.789 2.036 . . . . 0.0 114.569 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.644 ' HB3' ' HG3' ' A' ' 13' ' ' GLU . . . -98.68 18.93 15.68 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.93 0.892 . . . . 0.0 110.744 -174.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.27 30.57 76.98 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.728 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.644 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 37.3 mt-10 -80.86 91.71 6.01 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.996 0.518 . . . . 0.0 109.985 -172.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -55.08 106.9 0.25 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 122.779 1.276 . . . . 0.0 112.166 172.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.551 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 77.0 mtt180 -127.09 174.76 8.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 111.87 -2.423 . . . . 0.0 108.548 -175.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -163.18 166.53 23.23 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.093 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 9.2 ptp180 -144.0 171.2 14.59 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.334 1.021 . . . . 0.0 111.344 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -126.6 135.25 50.98 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -98.16 -178.27 4.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.725 -175.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.521 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . . . -135.05 162.03 33.63 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.376 174.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.7 m -47.67 -30.48 3.8 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.977 1.311 . . . . 0.0 114.454 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -85.41 3.68 38.92 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.608 0.763 . . . . 0.0 112.456 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.17 30.07 67.89 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 122.819 0.247 . . . . 0.0 112.775 -172.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.521 ' HG3' ' HB3' ' A' ' 20' ' ' ALA . 10.2 pt-20 -106.22 143.43 34.35 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.739 0.815 . . . . 0.0 109.106 177.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 m -98.92 140.93 32.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.188 0.595 . . . . 0.0 109.716 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.443 ' SD ' ' CD1' ' A' ' 27' ' ' PHE . 2.0 ppp? -113.83 -22.29 10.24 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.976 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.443 ' CD1' ' SD ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -158.89 163.92 36.15 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 162.246 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 t -168.69 173.55 7.21 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 125.186 1.554 . . . . 0.0 110.224 -173.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m 60.0 62.27 1.69 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 162.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.71 -57.45 3.85 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 163.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.66 56.5 3.11 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -169.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -72.2 -60.65 2.13 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.292 0.637 . . . . 0.0 110.074 -165.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -170.09 -72.96 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.08 0.552 . . . . 0.0 111.1 175.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.6 173.09 12.03 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.874 0.87 . . . . 0.0 109.052 -172.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -64.51 -47.17 79.87 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.919 0.487 . . . . 0.0 110.411 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.74 87.65 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.685 0.394 . . . . 0.0 110.38 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 m -67.68 -31.0 70.67 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.936 0.894 . . . . 0.0 110.165 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.44 -49.54 63.24 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.09 0.956 . . . . 0.0 110.294 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.2 -45.68 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.346 0.658 . . . . 0.0 111.099 175.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -60.27 -40.2 89.52 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.295 0.569 . . . . 0.0 111.025 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.455 ' O ' ' HE3' ' B' ' 26' ' ' MET . . . -57.13 -54.24 49.01 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.736 172.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.63 -27.76 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.891 0.876 . . . . 0.0 112.119 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.488 ' HA ' ' HG2' ' A' ' 46' ' ' LYS . 45.6 mt-10 -62.59 -30.58 71.44 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.608 0.363 . . . . 0.0 110.936 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.51 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 7.9 m -55.07 -39.39 69.22 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 168.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 5.8 mm -68.82 -46.48 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -174.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.513 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 8.1 mmmm -58.79 -26.55 64.18 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 114.504 -1.226 . . . . 0.0 112.591 -174.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.51 ' HE ' ' HA ' ' A' ' 44' ' ' SER . 70.8 mtm180 -61.28 -58.61 7.58 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.348 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -174.09 18.04 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -166.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.551 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.9 t -65.15 -33.58 76.35 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 121.461 -0.774 . . . . 0.0 112.024 -176.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -58.82 -34.16 71.2 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.819 170.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.05 -1.14 61.44 Favored Glycine 0 CA--C 1.538 1.507 0 CA-C-O 119.629 -0.539 . . . . 0.0 114.359 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.39 163.91 19.75 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.512 0.725 . . . . 0.0 111.533 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -88.87 158.21 18.17 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.4 m -120.06 105.13 10.72 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.144 0.578 . . . . 0.0 110.286 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 t -110.22 125.93 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 124.957 1.303 . . . . 0.0 110.067 -174.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -103.78 125.14 50.03 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.653 0.781 . . . . 0.0 110.801 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.1 mt -100.7 -23.05 14.72 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 125.118 1.367 . . . . 0.0 113.299 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.621 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 3.4 t -80.84 -26.95 36.66 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -165.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.441 HG22 ' HE2' ' B' ' 35' ' ' LYS . 45.6 p . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -175.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.8 ttm . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.85 164.79 22.94 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.185 0.594 . . . . 0.0 111.638 171.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.39 178.31 7.56 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.696 -168.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' B' ' 17' ' ' ARG . 98.6 m-85 -102.82 114.56 28.92 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.48 1.112 . . . . 0.0 109.829 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -96.9 110.35 22.88 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.5 mt -98.61 129.87 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.757 0.823 . . . . 0.0 109.026 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.621 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 37.2 p90 -144.33 178.41 7.94 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 122.956 0.502 . . . . 0.0 110.156 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -121.04 146.53 46.62 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 166.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.596 ' HB2' ' HD2' ' B' ' 15' ' ' ARG . 5.9 t70 -101.09 -177.02 3.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 119.102 -0.475 . . . . 0.0 109.802 -173.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -41.8 -38.17 1.43 Allowed 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 127.069 2.148 . . . . 0.0 114.675 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.646 ' HB3' ' HG3' ' B' ' 13' ' ' GLU . . . -97.71 18.99 14.38 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.848 0.859 . . . . 0.0 111.037 -175.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.84 30.82 77.98 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.96 -169.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.646 ' HG3' ' HB3' ' B' ' 11' ' ' ALA . 37.8 mt-10 -81.15 92.49 6.29 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.804 0.442 . . . . 0.0 110.07 -172.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -55.68 107.04 0.3 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.656 1.217 . . . . 0.0 111.997 172.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.596 ' HD2' ' HB2' ' B' ' 9' ' ' ASP . 85.1 mtt180 -127.11 175.32 8.21 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 111.609 -2.542 . . . . 0.0 109.231 -175.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -164.36 166.73 20.46 Favored 'General case' 0 C--O 1.247 0.923 0 C-N-CA 124.543 1.137 . . . . 0.0 109.299 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 13.7 ptt180 -144.38 170.27 16.33 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.4 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -125.9 134.95 51.42 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 171.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -98.5 -178.55 4.05 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.663 -175.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.44 160.7 37.19 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.52 1.128 . . . . 0.0 108.369 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.0 m -46.55 -31.13 2.59 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -85.46 4.95 33.28 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.507 0.723 . . . . 0.0 112.863 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.01 30.09 70.24 Favored Glycine 0 C--N 1.347 1.14 0 C-N-CA 123.22 0.438 . . . . 0.0 112.674 -173.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -105.0 144.27 32.04 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.778 0.831 . . . . 0.0 108.944 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -100.41 140.85 34.07 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.455 ' HE3' ' O ' ' A' ' 41' ' ' ALA . 1.9 ppp? -114.25 -22.37 9.98 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.978 -176.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.415 ' CD1' ' SD ' ' B' ' 26' ' ' MET . 0.0 OUTLIER -158.96 164.32 35.7 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 161.214 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.2 t -168.29 174.1 7.3 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.361 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.0 m 59.48 61.59 1.97 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 162.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -57.19 4.05 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.073 161.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.08 56.94 3.12 Favored Glycine 0 C--N 1.352 1.419 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -168.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -72.5 -60.29 2.31 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 122.791 0.437 . . . . 0.0 110.311 -165.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -169.88 -72.96 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.643 0.589 . . . . 0.0 111.241 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.5 173.84 11.23 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.946 0.898 . . . . 0.0 109.279 -172.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.507 ' HD2' ' H ' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -66.23 -45.01 82.15 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.331 0.514 . . . . 0.0 110.384 -179.453 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.435 ' N ' ' HG2' ' B' ' 35' ' ' LYS . . . -60.88 -41.97 97.04 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.742 0.417 . . . . 0.0 110.316 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.9 m -66.11 -30.74 71.3 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.852 177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.6 -49.91 60.81 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 124.059 0.943 . . . . 0.0 110.582 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mp -56.66 -46.88 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.15 0.58 . . . . 0.0 110.996 174.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 63.9 m-70 -60.62 -39.2 87.34 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.977 0.511 . . . . 0.0 111.518 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.442 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -57.8 -53.74 54.81 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.832 171.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.51 HG22 ' HD3' ' B' ' 46' ' ' LYS . 71.6 mt -57.51 -27.96 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.876 0.87 . . . . 0.0 111.916 176.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 54.3 mm-40 -61.93 -31.6 71.93 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.913 0.485 . . . . 0.0 110.579 177.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m -55.35 -39.22 69.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 123.449 0.468 . . . . 0.0 112.199 169.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.548 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.6 mm -68.53 -46.21 80.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 123.617 0.573 . . . . 0.0 109.497 -175.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.2 mmmm -59.12 -26.26 64.55 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.207 -174.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 35.2 mmt-85 -62.49 -57.02 12.71 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 114.478 -1.237 . . . . 0.0 112.135 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -175.32 17.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -165.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.548 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 27.9 t -65.35 -33.47 76.05 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.437 -0.789 . . . . 0.0 111.947 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -59.4 -32.99 70.67 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.85 171.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.05 -0.9 59.82 Favored Glycine 0 CA--C 1.536 1.38 0 CA-C-O 119.727 -0.485 . . . . 0.0 114.108 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.15 162.96 21.27 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.708 0.803 . . . . 0.0 111.58 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.422 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 18.7 t70 -87.39 157.36 19.26 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.886 0.474 . . . . 0.0 110.203 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.3 m -119.44 104.49 10.38 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.351 0.66 . . . . 0.0 109.834 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 7.5 p -110.01 126.46 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 124.672 1.189 . . . . 0.0 110.903 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -103.75 125.55 50.29 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.346 0.658 . . . . 0.0 111.531 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -101.16 -20.73 15.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.85 1.26 . . . . 0.0 112.46 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.626 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.6 t -84.59 -8.55 58.86 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -169.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 50.6 p . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.689 -0.632 . . . . 0.0 109.464 172.486 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.1 ttp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.43 163.28 27.06 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.316 0.579 . . . . 0.0 111.939 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.75 -179.63 5.98 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.788 -168.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.452 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 92.6 m-85 -100.91 121.33 41.55 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.339 1.056 . . . . 0.0 109.356 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -99.68 109.9 22.34 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.544 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 32.9 mt -96.23 119.45 44.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -176.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.698 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 50.2 p90 -141.25 169.38 17.71 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.516 HE21 ' HA2' ' A' ' 12' ' ' GLY . 12.9 pt20 -112.43 147.74 35.82 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 170.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.636 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 16.6 t70 -76.24 160.25 29.86 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 171.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -33.76 38.28 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.995 0.918 . . . . 0.0 112.013 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.71 7.84 1.36 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.826 1.25 . . . . 0.0 112.55 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.516 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 69.57 29.06 71.62 Favored Glycine 0 C--N 1.343 0.959 0 C-N-CA 124.328 0.966 . . . . 0.0 113.017 -176.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.636 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 28.4 mm-40 -92.5 88.06 6.21 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -174.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -58.34 129.57 42.64 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.422 0.629 . . . . 0.0 111.738 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.476 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 91.8 mtt180 -152.88 178.22 9.9 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.23 1.812 . . . . 0.0 109.8 -169.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -151.1 156.09 40.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.902 -1.045 . . . . 0.0 108.951 173.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -129.32 158.9 37.8 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 174.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.52 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 13.9 t80 -115.18 132.36 56.63 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 177.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -98.45 -179.37 4.32 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.469 -171.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -135.22 157.94 45.63 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 125.173 1.389 . . . . 0.0 107.627 174.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 m -36.51 -42.43 0.34 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -174.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -89.86 17.14 7.01 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.61 19.25 79.35 Favored Glycine 0 N--CA 1.47 0.925 0 N-CA-C 112.8 -0.12 . . . . 0.0 112.8 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.57 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 20.5 mt-10 -81.3 155.59 25.96 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.873 0.869 . . . . 0.0 108.762 177.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.5 m -117.29 138.76 51.54 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.742 ' HE1' ' HD2' ' A' ' 27' ' ' PHE . 1.6 ppp? -114.13 -18.69 11.6 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.456 0.703 . . . . 0.0 112.028 -176.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.742 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 10.9 p90 -154.35 160.9 41.95 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.345 0.593 . . . . 0.0 111.309 162.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -124.93 132.79 53.24 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 113.706 -1.588 . . . . 0.0 107.313 169.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -94.6 167.17 11.64 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.696 0.76 . . . . 0.0 111.712 -169.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -74.3 -20.72 60.03 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.468 169.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.476 ' HA3' ' HA ' ' A' ' 15' ' ' ARG . . . 81.37 -9.29 55.46 Favored Glycine 0 C--N 1.358 1.751 0 N-CA-C 115.661 1.024 . . . . 0.0 115.661 174.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 62.6 t80 82.08 -62.13 0.16 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.374 1.47 . . . . 0.0 109.71 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -163.49 -70.04 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.941 0.496 . . . . 0.0 111.051 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.487 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -124.15 177.28 5.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.793 0.837 . . . . 0.0 109.093 -169.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HD3' ' H ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -70.14 -42.82 72.06 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.721 0.691 . . . . 0.0 110.664 -179.449 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.99 -42.81 90.9 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.1 0.476 . . . . 0.0 110.366 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.487 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 12.2 m -67.67 -29.37 68.63 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.269 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.63 -44.81 66.42 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 123.63 0.772 . . . . 0.0 110.565 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 mp -57.08 -45.54 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 122.995 0.518 . . . . 0.0 110.478 171.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -59.66 -38.45 81.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.298 0.639 . . . . 0.0 110.903 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.38 -53.94 50.12 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.414 172.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.462 ' HA ' HG12 ' A' ' 45' ' ' ILE . 71.1 mt -59.14 -25.69 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 122.978 0.511 . . . . 0.0 111.525 178.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 43.7 mt-10 -65.15 -38.04 89.32 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -53.9 -38.67 65.05 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.037 0.836 . . . . 0.0 111.711 172.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.582 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.4 mm -68.18 -43.54 84.86 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 O-C-N 123.841 0.713 . . . . 0.0 109.214 -175.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.3 mmmm -62.37 -27.47 69.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.898 -1.046 . . . . 0.0 113.069 -175.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 43' ' ' GLU . 62.2 mtt85 -71.95 -52.35 17.59 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.532 -173.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.401 ' ND2' ' SD ' ' B' ' 1' ' ' MET . 64.5 t30 -166.98 17.06 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -170.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 18.7 t -67.19 -33.23 74.96 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 121.528 -0.733 . . . . 0.0 112.262 -178.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.599 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -64.92 -24.16 67.44 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 122.771 0.428 . . . . 0.0 111.596 172.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.97 -4.43 48.16 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 113.54 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.11 170.52 3.58 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.85 0.86 . . . . 0.0 111.331 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -99.5 157.86 16.14 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -113.09 109.38 18.72 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.606 0.762 . . . . 0.0 109.342 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.2 121.85 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.248 1.419 . . . . 0.0 109.058 -172.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.512 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.6 p-10 -103.03 110.06 21.84 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.294 0.569 . . . . 0.0 111.065 175.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.0 mt -78.08 -26.87 48.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.092 0.957 . . . . 0.0 112.457 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.722 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 5.4 t -71.96 -11.67 60.88 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -165.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 CA--C 1.543 0.71 0 C-N-CA 122.831 0.452 . . . . 0.0 110.302 -177.381 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.401 ' SD ' ' ND2' ' A' ' 48' ' ' ASN . 47.5 ttm . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.43 161.95 29.57 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.501 0.667 . . . . 0.0 111.482 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.23 -179.02 4.84 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.859 -166.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.457 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 97.3 m-85 -100.69 121.12 41.12 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.333 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -99.5 109.72 22.24 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.512 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 29.5 mt -96.1 119.57 44.34 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -176.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.722 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 14.9 p90 -141.58 169.12 18.19 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.509 HE21 ' HA2' ' B' ' 12' ' ' GLY . 11.3 pt20 -111.76 148.39 33.61 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 170.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.485 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 22.5 t70 -76.81 160.65 29.1 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 171.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -33.54 40.86 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.026 0.93 . . . . 0.0 111.924 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.426 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . . . -72.62 8.59 1.38 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 124.726 1.21 . . . . 0.0 112.668 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . 0.509 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 69.52 29.32 71.58 Favored Glycine 0 C--N 1.346 1.11 0 C-N-CA 124.297 0.951 . . . . 0.0 112.884 -176.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.485 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 11.8 mm-40 -93.03 87.82 5.89 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -174.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.42 ' CD1' ' HB3' ' B' ' 35' ' ' LYS . 68.2 m-85 -58.05 131.59 50.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.651 0.739 . . . . 0.0 112.088 177.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.441 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 14.4 ptp180 -156.04 176.84 12.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 113.584 -1.644 . . . . 0.0 110.13 -168.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -150.07 156.36 41.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.965 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -128.85 159.48 35.63 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.491 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 14.4 t80 -116.04 132.58 56.61 Favored 'General case' 0 C--O 1.243 0.745 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -98.53 -179.73 4.42 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.453 -171.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -135.18 157.75 46.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.133 1.373 . . . . 0.0 107.784 174.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 56.3 p -35.66 -42.73 0.25 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -175.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.79 16.09 8.64 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.432 0.693 . . . . 0.0 112.668 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.91 18.81 79.34 Favored Glycine 0 C--N 1.344 1.019 0 N-CA-C 112.7 -0.16 . . . . 0.0 112.7 -175.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.589 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 12.6 mm-40 -80.02 156.02 27.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.892 0.877 . . . . 0.0 109.023 176.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 63.4 m -118.06 138.41 52.25 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.635 ' HE1' ' HD1' ' B' ' 27' ' ' PHE . 1.4 ppp? -113.89 -17.87 11.92 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.363 0.665 . . . . 0.0 111.975 -176.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.635 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 15.8 p90 -156.82 160.56 39.32 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.473 0.654 . . . . 0.0 111.682 162.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.9 m -124.03 132.79 53.73 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 113.484 -1.689 . . . . 0.0 106.947 171.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -93.37 166.99 12.01 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.784 0.802 . . . . 0.0 111.719 -169.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -75.21 -20.52 59.23 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 113.826 -1.534 . . . . 0.0 109.332 168.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' B' ' 15' ' ' ARG . . . 81.9 -9.4 56.74 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 115.38 0.912 . . . . 0.0 115.38 173.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 63.2 t80 82.11 -62.51 0.16 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.447 1.499 . . . . 0.0 109.469 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -163.44 -69.8 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.03 0.532 . . . . 0.0 111.178 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.453 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -124.13 177.34 5.87 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.913 0.885 . . . . 0.0 109.057 -169.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' B' ' 36' ' ' ALA . 2.7 pptp? -70.14 -42.46 72.51 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 118.981 0.81 . . . . 0.0 110.763 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.447 ' N ' ' HD2' ' B' ' 35' ' ' LYS . . . -59.06 -43.13 91.68 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.904 0.481 . . . . 0.0 110.213 175.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.453 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 5.3 m -67.4 -29.77 69.36 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.11 176.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.75 -44.64 66.36 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.421 0.688 . . . . 0.0 110.572 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -56.92 -46.14 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.0 0.52 . . . . 0.0 110.414 171.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -58.46 -39.16 79.12 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.282 0.633 . . . . 0.0 111.218 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.98 -54.06 49.54 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.486 172.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.491 HG22 ' HD3' ' B' ' 46' ' ' LYS . 74.2 mt -59.08 -26.11 32.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 123.023 0.529 . . . . 0.0 111.367 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.556 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 41.3 mt-10 -64.36 -38.55 91.44 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 37.9 m -53.81 -38.51 64.64 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 124.135 0.897 . . . . 0.0 111.531 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.575 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.5 mm -68.27 -43.39 84.62 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 123.901 0.75 . . . . 0.0 109.357 -175.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.3 mmmm -63.59 -26.08 68.53 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.547 -174.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 14.2 mmt180 -72.99 -51.74 17.12 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.143 -0.935 . . . . 0.0 112.289 -173.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -167.11 16.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -170.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.575 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 20.4 t -67.13 -33.53 75.65 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.228 -0.92 . . . . 0.0 112.208 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.93 -23.9 67.36 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.679 0.392 . . . . 0.0 111.673 172.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.69 -4.46 48.99 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.674 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.87 170.7 3.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.853 0.861 . . . . 0.0 111.395 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.47 158.03 16.21 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.4 m -113.12 109.33 18.62 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.336 0.654 . . . . 0.0 109.369 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 52.2 t -118.09 122.26 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.913 1.285 . . . . 0.0 108.976 -173.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.544 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 9.3 p-10 -102.94 110.37 22.26 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.37 0.605 . . . . 0.0 111.024 175.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.81 -22.71 49.62 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.615 1.166 . . . . 0.0 111.717 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.698 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.0 t -93.56 10.9 30.67 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.974 -171.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.489 1.522 0 C-N-CA 126.334 1.854 . . . . 0.0 114.486 -173.318 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.8 ttm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.14 164.41 25.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 121.213 0.53 . . . . 0.0 111.344 173.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.584 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -164.34 177.63 8.11 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.24 -165.177 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 95.8 m-85 -100.84 112.02 24.35 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.776 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.455 ' HB2' ' HG2' ' A' ' 17' ' ' ARG . 67.1 mt-10 -93.06 105.6 17.68 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 mt -99.41 120.04 48.24 Favored 'Isoleucine or valine' 0 C--N 1.345 0.37 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -175.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.536 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.0 p90 -141.1 -177.97 5.36 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -122.85 150.28 43.08 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -89.32 165.08 14.62 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 124.633 1.173 . . . . 0.0 109.299 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -45.11 -37.01 3.98 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 126.049 1.74 . . . . 0.0 112.511 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.98 10.66 2.17 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.912 0.885 . . . . 0.0 112.303 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.34 33.44 87.24 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 124.645 1.117 . . . . 0.0 112.668 -176.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -108.03 119.21 38.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.551 0.34 . . . . 0.0 110.502 -172.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.74 124.72 29.28 Favored 'General case' 0 C--N 1.345 0.377 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 42.4 mtt180 -139.92 137.59 34.92 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.798 1.239 . . . . 0.0 108.247 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.413 ' CD1' ' HA2' ' A' ' 31' ' ' GLY . 49.7 p90 -108.76 166.31 10.9 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 121.546 0.688 . . . . 0.0 109.256 170.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HD2' ' HE1' ' A' ' 7' ' ' TYR . 3.1 ptm180 -139.17 162.18 35.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.009 174.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.513 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 20.0 t80 -119.11 133.5 55.75 Favored 'General case' 0 C--O 1.245 0.863 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 173.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -102.19 -179.02 3.87 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.006 -171.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.23 172.67 10.81 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 125.611 1.564 . . . . 0.0 107.426 174.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.2 p -69.41 -32.68 71.83 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 118.981 0.81 . . . . 0.0 111.313 -161.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -92.45 16.92 10.8 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.582 0.753 . . . . 0.0 111.592 -178.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.43 19.92 63.26 Favored Glycine 0 C--N 1.346 1.12 0 N-CA-C 114.515 0.566 . . . . 0.0 114.515 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -83.62 154.18 23.88 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.033 0.533 . . . . 0.0 109.608 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 m -115.42 151.14 35.26 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.513 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 2.2 ppp? -127.02 -32.66 2.51 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.468 0.707 . . . . 0.0 112.222 -175.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.534 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 1.3 p90 -144.16 158.72 43.56 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.915 0.325 . . . . 0.0 110.166 168.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 t -163.33 -176.92 5.02 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 m 92.37 -23.02 0.07 Allowed 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 148.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.583 ' HG3' ' H ' ' B' ' 28' ' ' SER . 30.0 mm-40 -76.97 -88.21 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.05 0.841 . . . . 0.0 111.862 176.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 15' ' ' ARG . . . 82.29 0.69 90.01 Favored Glycine 0 N--CA 1.476 1.345 0 CA-C-O 119.864 -0.409 . . . . 0.0 113.619 -171.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 t80 73.16 -65.22 0.37 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.914 1.685 . . . . 0.0 111.901 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -152.95 -56.06 0.12 Allowed 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 120.925 0.393 . . . . 0.0 110.751 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.474 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -141.11 -174.14 3.92 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.241 1.017 . . . . 0.0 108.747 -175.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -62.71 -46.19 89.25 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 118.644 0.656 . . . . 0.0 110.571 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.02 -47.64 68.17 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.22 0.608 . . . . 0.0 111.041 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.474 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.8 m -71.23 -27.17 63.28 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.397 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.95 -55.0 21.73 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 123.711 0.804 . . . . 0.0 110.236 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.407 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.3 mp -55.86 -47.83 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 123.349 0.66 . . . . 0.0 111.234 175.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -55.72 -44.21 77.27 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.876 0.47 . . . . 0.0 111.317 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.36 -54.67 44.22 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.096 173.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.4 mt -56.18 -30.0 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.171 0.589 . . . . 0.0 111.904 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 44.2 mt-10 -64.27 -33.07 74.97 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.701 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.9 m -53.57 -41.18 66.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 123.573 0.546 . . . . 0.0 111.473 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.576 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.2 mm -69.1 -45.68 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.212 -174.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 8.6 mmmm -61.88 -24.59 67.03 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.027 -176.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 37.3 mmt180 -65.37 -57.96 7.07 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 123.764 0.665 . . . . 0.0 111.67 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -167.74 16.17 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -166.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.576 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.6 t -67.73 -32.77 73.62 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.262 -0.899 . . . . 0.0 112.927 -172.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.61 -30.41 71.33 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 122.577 0.351 . . . . 0.0 111.707 172.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.08 -0.05 57.31 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 115.867 -0.606 . . . . 0.0 113.774 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.04 167.71 7.52 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.572 0.749 . . . . 0.0 111.548 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.62 ' HB3' ' HB3' ' B' ' 3' ' ' LYS . 32.9 t70 -88.83 156.59 18.85 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.6 m -125.28 116.41 21.91 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.19 136.58 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.135 0.974 . . . . 0.0 110.981 -171.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -100.28 114.26 27.59 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.967 0.907 . . . . 0.0 109.748 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -79.27 -18.28 53.04 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.518 1.127 . . . . 0.0 110.926 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.599 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 7.3 t -89.56 11.53 19.31 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.876 0.87 . . . . 0.0 111.629 -174.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 170.671 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 45.2 ttm . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.59 161.01 24.09 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.218 0.532 . . . . 0.0 111.366 174.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -160.55 176.76 11.23 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.075 -165.24 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.411 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 92.7 m-85 -100.8 111.82 24.12 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.834 178.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -93.11 105.84 17.88 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mt -99.92 119.89 48.6 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.599 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 24.7 p90 -140.98 -178.86 5.76 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -121.33 149.82 42.37 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 168.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.437 ' HB2' ' HD3' ' B' ' 15' ' ' ARG . 32.8 t70 -89.3 165.7 14.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.515 1.126 . . . . 0.0 109.463 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -45.88 -36.37 5.29 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.992 1.717 . . . . 0.0 112.603 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.42 10.55 2.48 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.973 0.909 . . . . 0.0 112.079 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.56 33.2 86.59 Favored Glycine 0 C--N 1.347 1.169 0 C-N-CA 124.401 1.001 . . . . 0.0 113.004 -175.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.402 ' O ' ' HD2' ' B' ' 15' ' ' ARG . 47.3 mt-10 -108.24 109.26 20.58 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 122.463 0.305 . . . . 0.0 110.637 -172.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -64.83 124.42 21.94 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.368 0.604 . . . . 0.0 112.532 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.498 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 0.0 OUTLIER -141.94 139.36 32.47 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 113.828 -1.533 . . . . 0.0 109.711 177.649 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -108.75 166.44 10.8 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-O 121.767 0.794 . . . . 0.0 109.583 171.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -139.6 162.34 35.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.605 -1.634 . . . . 0.0 109.489 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.519 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.9 t80 -119.16 133.09 55.98 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 173.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -101.96 -178.86 3.83 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.117 -171.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.14 161.5 29.92 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.685 1.594 . . . . 0.0 107.547 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 75.3 p -49.72 -38.3 32.85 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -94.34 17.27 13.18 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 122.8 0.44 . . . . 0.0 110.801 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.56 19.54 61.78 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 114.528 0.571 . . . . 0.0 114.528 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -83.9 154.42 23.43 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -114.81 151.26 34.14 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.519 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 2.2 ppp? -127.41 -32.7 2.41 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.595 0.758 . . . . 0.0 112.258 -176.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.426 ' HD2' ' HE1' ' B' ' 26' ' ' MET . 1.9 p90 -144.36 158.83 43.54 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 118.06 0.391 . . . . 0.0 110.163 168.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.583 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 33.2 m -162.82 -177.4 5.5 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.824 1.25 . . . . 0.0 111.16 -174.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 43.5 t 93.41 -23.87 0.05 Allowed 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 147.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -77.49 -87.89 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 118.687 0.676 . . . . 0.0 111.358 178.02 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' B' ' 15' ' ' ARG . . . 80.95 2.02 90.14 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-O 120.004 -0.331 . . . . 0.0 113.534 -171.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 t80 72.48 -64.71 0.38 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 126.083 1.753 . . . . 0.0 112.067 174.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -153.47 -56.54 0.12 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.008 0.523 . . . . 0.0 110.624 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.457 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -140.98 -174.17 3.92 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.203 1.001 . . . . 0.0 108.801 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -61.96 -46.7 88.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.662 0.785 . . . . 0.0 110.245 178.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.16 -47.35 68.86 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.465 0.706 . . . . 0.0 110.968 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.457 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 5.8 m -72.68 -26.8 61.76 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.084 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -54.75 24.51 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 123.536 0.734 . . . . 0.0 109.957 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.76 -47.85 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.555 0.742 . . . . 0.0 111.194 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -56.16 -43.44 78.32 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 123.57 0.544 . . . . 0.0 111.152 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.447 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -58.16 -54.56 45.56 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.034 174.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 65.4 mt -55.78 -30.59 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 123.342 0.657 . . . . 0.0 111.737 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 42.6 mt-10 -63.45 -33.76 76.28 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 119.073 -0.489 . . . . 0.0 110.471 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 37.9 m -53.39 -41.27 65.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 123.739 0.649 . . . . 0.0 111.509 170.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.0 mm -69.24 -45.51 79.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.191 -174.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.7 mmmm -63.05 -23.26 67.37 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.694 -176.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 22.8 mmm180 -66.67 -57.76 6.52 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.5 0.5 . . . . 0.0 111.545 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -166.94 16.51 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -166.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.568 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 20.2 t -67.31 -33.1 74.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.527 -0.733 . . . . 0.0 112.821 -172.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.47 -30.86 71.56 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.576 0.35 . . . . 0.0 111.593 172.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.0 0.56 57.53 Favored Glycine 0 C--N 1.351 1.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 113.826 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.29 167.59 8.18 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.575 0.75 . . . . 0.0 111.555 176.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.584 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 26.0 t70 -88.83 156.61 18.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.097 0.559 . . . . 0.0 109.637 175.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 47.2 m -125.3 116.55 22.11 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.7 p -130.98 137.73 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.106 0.962 . . . . 0.0 110.93 -171.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.3 116.04 31.82 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.393 0.677 . . . . 0.0 109.978 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.61 -24.35 36.47 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.418 1.087 . . . . 0.0 112.362 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.536 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.5 t -88.22 16.73 5.84 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 120.011 1.278 . . . . 0.0 111.187 -170.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 36.6 p . . . . . 0 N--CA 1.477 0.876 0 C-N-CA 124.481 1.112 . . . . 0.0 109.296 172.416 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 ttm . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -61.22 162.98 6.79 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.502 0.721 . . . . 0.0 112.082 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.17 179.29 6.98 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.103 -163.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -103.46 109.77 21.55 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.527 1.131 . . . . 0.0 109.035 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.465 ' HB2' ' CG ' ' A' ' 17' ' ' ARG . 35.1 mt-10 -94.93 107.8 19.84 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.438 -178.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.495 ' HA ' ' HB3' ' A' ' 16' ' ' PHE . 24.6 mt -96.17 126.1 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.041 0.936 . . . . 0.0 109.042 -172.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.65 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.0 p90 -140.49 179.97 6.36 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.263 0.554 . . . . 0.0 109.711 177.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -117.33 141.54 48.19 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 162.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.677 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.4 t70 -90.81 169.36 11.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -176.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -41.17 -37.54 0.92 Allowed 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 126.376 1.871 . . . . 0.0 113.211 -177.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.45 11.63 1.53 Allowed 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 124.166 0.986 . . . . 0.0 112.852 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.96 25.78 64.61 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 123.528 0.585 . . . . 0.0 112.695 -172.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -105.5 133.83 49.61 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -170.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -88.22 114.38 24.78 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.831 0.824 . . . . 0.0 109.723 -166.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.677 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 97.9 mtt180 -135.77 138.19 42.39 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.209 -1.814 . . . . 0.0 109.268 -171.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.495 ' HB3' ' HA ' ' A' ' 6' ' ' ILE . 32.1 p90 -124.02 169.21 11.88 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.226 0.61 . . . . 0.0 110.564 174.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.465 ' CG ' ' HB2' ' A' ' 5' ' ' GLU . 8.3 ptm180 -127.51 159.94 33.03 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.767 178.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -118.77 130.64 55.91 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 167.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -98.82 -177.79 3.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.574 -1.193 . . . . 0.0 110.811 -174.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.441 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . . . -138.46 164.33 29.66 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.475 1.11 . . . . 0.0 108.064 173.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -51.85 -31.41 27.65 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -176.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -75.75 -9.54 58.68 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.838 0.855 . . . . 0.0 111.818 -178.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.02 45.6 10.21 Favored Glycine 0 C--N 1.341 0.821 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.441 ' HG3' ' HB3' ' A' ' 20' ' ' ALA . 7.7 pt-20 -125.12 142.23 51.62 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.998 0.919 . . . . 0.0 109.063 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 m -96.62 131.06 43.65 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.532 0.733 . . . . 0.0 109.703 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.477 ' HB2' ' HE2' ' A' ' 26' ' ' MET . 1.0 OUTLIER -108.69 -17.95 13.83 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.283 -176.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' HD2' ' HG2' ' B' ' 30' ' ' GLU . 0.0 OUTLIER -163.68 165.84 22.85 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 160.122 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.7 p -178.31 172.52 1.51 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 114.469 -1.241 . . . . 0.0 111.278 -170.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m 64.63 24.21 12.94 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 165.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.506 ' HG2' ' HD2' ' B' ' 27' ' ' PHE . 0.0 OUTLIER -52.7 -36.33 57.08 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.398 1.079 . . . . 0.0 111.437 170.135 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.49 55.5 20.27 Favored Glycine 0 C--N 1.36 1.87 0 CA-C-O 119.262 -0.743 . . . . 0.0 112.598 172.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -69.51 -62.84 1.22 Allowed 'General case' 0 C--N 1.353 0.76 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -167.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -171.93 -74.54 0.01 OUTLIER 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.579 0.549 . . . . 0.0 112.185 163.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.34 172.52 8.6 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.352 0.661 . . . . 0.0 109.684 -168.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 2.5 pptp? -67.25 -43.41 81.96 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.601 0.637 . . . . 0.0 111.306 -177.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -56.63 -40.67 75.79 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.79 0.436 . . . . 0.0 110.857 175.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.7 m -71.83 -30.73 65.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.822 0.849 . . . . 0.0 111.093 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.81 -54.38 16.19 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.604 0.762 . . . . 0.0 110.824 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.88 -46.8 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.207 0.603 . . . . 0.0 110.91 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -55.83 -40.81 73.33 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.973 0.509 . . . . 0.0 111.659 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.35 -52.06 67.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.2 0.6 . . . . 0.0 110.058 173.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.438 ' HA ' HG12 ' A' ' 45' ' ' ILE . 71.0 mt -60.07 -27.74 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.788 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.6 mt-10 -67.45 -32.71 73.76 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 119.116 -0.469 . . . . 0.0 110.19 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.1 m -57.45 -39.22 75.82 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.628 0.58 . . . . 0.0 111.567 171.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.504 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.6 mm -67.04 -42.61 88.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -175.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.614 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.2 mmmm -59.78 -26.33 65.63 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -177.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 29.7 mmt180 -71.42 -50.29 33.35 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.963 -171.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -170.35 18.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.504 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 7.7 t -62.31 -37.29 85.0 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.551 -0.718 . . . . 0.0 112.221 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.608 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.09 -24.94 68.13 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.353 174.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.66 -11.72 46.42 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.675 173.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.73 138.86 56.57 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.9 0.88 . . . . 0.0 111.087 -175.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -68.13 159.33 31.19 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.809 0.444 . . . . 0.0 111.365 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -115.32 102.52 9.93 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' B' ' 5' ' ' GLU . 7.1 p -104.41 127.86 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.95 0.9 . . . . 0.0 110.196 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -107.18 121.13 43.9 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 122.847 0.459 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -96.56 -20.55 18.27 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.518 1.127 . . . . 0.0 112.784 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.638 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 8.8 t -86.57 5.06 37.43 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 122.801 0.44 . . . . 0.0 111.678 -172.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.935 0 C-N-CA 123.708 0.803 . . . . 0.0 109.863 167.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttm . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -68.34 162.66 24.77 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.549 0.69 . . . . 0.0 111.827 170.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.95 178.94 7.35 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.015 -167.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.415 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 97.0 m-85 -103.29 109.48 21.1 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.607 1.163 . . . . 0.0 109.284 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.424 ' HA ' HG13 ' A' ' 55' ' ' VAL . 79.4 mt-10 -94.24 106.04 18.02 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.58 0.752 . . . . 0.0 109.187 -177.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.47 ' HA ' ' HB3' ' B' ' 16' ' ' PHE . 23.6 mt -95.8 125.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.838 0.855 . . . . 0.0 109.082 -172.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.673 ' HE1' ' HG3' ' B' ' 17' ' ' ARG . 47.1 p90 -140.51 -179.46 6.03 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.336 0.589 . . . . 0.0 109.702 176.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -116.75 141.58 48.02 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 163.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -92.01 169.41 10.68 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -41.05 -37.43 0.84 Allowed 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 126.358 1.863 . . . . 0.0 113.243 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.55 11.75 1.52 Allowed 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 124.328 1.051 . . . . 0.0 112.757 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.33 26.16 63.66 Favored Glycine 0 C--N 1.352 1.458 0 C-N-CA 123.714 0.674 . . . . 0.0 112.69 -172.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -104.88 133.08 50.29 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -170.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -88.05 114.19 24.42 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.901 0.857 . . . . 0.0 109.825 -166.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -135.64 137.75 42.18 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 113.127 -1.851 . . . . 0.0 109.393 -170.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.47 ' HB3' ' HA ' ' B' ' 6' ' ' ILE . 32.5 p90 -124.02 168.37 12.93 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.445 0.64 . . . . 0.0 110.478 174.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.673 ' HG3' ' HE1' ' B' ' 7' ' ' TYR . 16.7 mtm180 -125.1 159.92 30.29 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.326 -1.306 . . . . 0.0 109.436 178.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -119.03 130.83 55.86 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 165.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -98.61 -177.78 3.78 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.94 -174.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.83 163.91 30.24 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.514 1.125 . . . . 0.0 108.191 173.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.9 p -52.35 -30.75 30.19 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -75.57 -9.59 58.71 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 123.689 0.795 . . . . 0.0 111.793 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.22 46.06 9.5 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -173.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -125.69 141.97 51.75 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.201 1.0 . . . . 0.0 108.97 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 90.9 m -96.01 131.58 42.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.451 0.7 . . . . 0.0 109.555 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.436 ' HE1' ' CD1' ' B' ' 27' ' ' PHE . 1.1 ppp? -108.96 -18.07 13.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.272 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.506 ' HD2' ' HG2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -163.95 166.03 22.04 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 160.436 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.454 ' CB ' ' HG2' ' B' ' 17' ' ' ARG . 58.9 p -178.06 173.02 1.54 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.583 -169.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m 63.36 24.62 14.29 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 164.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.499 ' HG2' ' HD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -52.6 -35.93 55.19 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.402 1.081 . . . . 0.0 111.528 169.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.53 54.94 23.18 Favored Glycine 0 C--N 1.359 1.859 0 CA-C-O 119.223 -0.765 . . . . 0.0 112.404 172.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -69.19 -62.83 1.22 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -167.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -172.24 -74.93 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 O-C-N 123.639 0.587 . . . . 0.0 112.123 163.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.18 171.5 9.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.321 0.648 . . . . 0.0 109.322 -167.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.48 ' HZ2' HG23 ' A' ' 58' ' ' THR . 14.6 tttp -65.99 -45.02 83.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.26 0.624 . . . . 0.0 110.966 -177.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.65 -41.02 73.02 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.931 0.492 . . . . 0.0 111.03 174.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.7 m -72.05 -30.78 65.51 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.747 0.819 . . . . 0.0 111.187 176.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.21 -54.64 16.37 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 123.794 0.838 . . . . 0.0 110.833 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.413 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.4 mp -56.68 -47.06 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.185 0.594 . . . . 0.0 110.813 174.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -56.43 -40.36 74.63 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 123.518 0.511 . . . . 0.0 111.385 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.15 -52.39 65.91 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.059 0.544 . . . . 0.0 110.184 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.427 ' HA ' HG12 ' B' ' 45' ' ' ILE . 70.9 mt -59.5 -28.3 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 122.956 0.502 . . . . 0.0 111.894 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.521 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 46.4 mt-10 -67.46 -31.78 72.17 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.587 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 28.6 m -58.08 -39.0 77.47 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.439 0.462 . . . . 0.0 111.723 170.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.468 ' HA ' ' HB3' ' B' ' 49' ' ' SER . 2.6 mm -67.47 -42.35 87.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.608 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.5 mmmm -60.15 -26.43 66.29 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 31.5 mmt180 -70.38 -49.99 43.38 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.705 -172.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -170.99 17.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -169.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.468 ' HB3' ' HA ' ' B' ' 45' ' ' ILE . 87.4 p -61.59 -38.35 87.22 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 118.765 0.711 . . . . 0.0 112.052 -176.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.52 -24.9 67.74 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.633 0.773 . . . . 0.0 112.302 175.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.86 -12.13 44.39 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.771 -0.46 . . . . 0.0 113.578 173.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.48 138.98 57.01 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.862 0.865 . . . . 0.0 111.116 -175.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -69.53 159.67 32.9 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.922 0.391 . . . . 0.0 111.345 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.3 m -115.0 101.84 9.39 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 90.6 t -103.14 126.97 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.518 1.127 . . . . 0.0 109.545 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.423 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.2 t70 -106.84 121.4 44.34 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.112 0.565 . . . . 0.0 110.784 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.21 -24.04 15.89 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.969 1.307 . . . . 0.0 112.57 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.65 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.2 t -78.56 -30.75 47.03 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -165.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -176.809 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.4 ttm . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.4 ' OH ' ' HB2' ' B' ' 47' ' ' ARG . 0.9 OUTLIER -155.13 174.41 15.24 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.163 0.985 . . . . 0.0 110.332 177.235 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.8 OUTLIER -164.44 176.31 9.15 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.248 0.547 . . . . 0.0 111.699 -173.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -95.29 112.85 24.5 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.595 1.158 . . . . 0.0 108.545 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -93.67 106.04 18.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.554 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 21.4 mt -99.93 120.67 49.66 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -177.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.553 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 34.4 p90 -138.12 -177.25 4.74 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -122.03 151.73 40.53 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 161.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 31.0 t70 -81.54 164.55 21.87 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.88 -35.65 10.79 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.332 1.453 . . . . 0.0 111.411 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.3 13.56 1.15 Allowed 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 115.179 -0.918 . . . . 0.0 112.224 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.06 21.64 77.01 Favored Glycine 0 C--N 1.349 1.254 0 C-N-CA 124.435 1.017 . . . . 0.0 113.34 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 36.3 mt-10 -95.79 96.83 9.23 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.354 0.261 . . . . 0.0 111.269 -168.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.48 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 74.6 m-85 -52.86 124.32 13.76 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.056 0.542 . . . . 0.0 111.579 174.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -146.7 136.69 23.4 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 126.069 1.748 . . . . 0.0 108.161 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -116.19 133.45 56.01 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 172.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -110.19 161.54 15.47 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.628 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 11.6 t80 -117.59 134.1 55.24 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 175.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -96.88 -178.6 4.28 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.866 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.522 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . . . -136.06 165.67 25.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.891 177.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.7 p -57.72 -27.45 62.99 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.713 0.805 . . . . 0.0 112.663 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -75.89 -7.65 55.03 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.883 0.873 . . . . 0.0 111.559 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.53 42.23 55.96 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -173.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.522 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 17.1 pt-20 -121.32 138.56 54.19 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.6 m -88.61 138.36 31.49 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.628 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.1 ppp? -115.18 -11.83 11.96 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.887 -177.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.611 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 9.5 p90 -162.84 158.94 23.29 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.174 0.511 . . . . 0.0 111.247 162.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 t -120.19 132.63 55.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 113.099 -1.864 . . . . 0.0 106.058 169.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.6 ' HB3' ' HE2' ' A' ' 27' ' ' PHE . 95.4 p -98.6 178.62 4.95 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.431 1.014 . . . . 0.0 111.782 -171.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.49 -28.92 68.25 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.38 -1.736 . . . . 0.0 110.616 168.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 79.4 -11.08 33.0 Favored Glycine 0 C--N 1.359 1.816 0 CA-C-N 116.074 -0.512 . . . . 0.0 113.839 -172.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.7 t80 80.84 -60.79 0.25 Allowed 'General case' 0 C--N 1.355 0.84 0 C-N-CA 126.329 1.852 . . . . 0.0 110.622 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -156.16 -69.12 0.11 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.854 0.462 . . . . 0.0 111.01 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.488 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -133.37 -172.99 3.09 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.276 1.03 . . . . 0.0 109.086 -171.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -48.72 64.26 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 118.406 0.548 . . . . 0.0 109.654 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.78 88.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.224 0.61 . . . . 0.0 110.698 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.488 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 4.4 m -71.22 -29.91 65.72 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.657 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.02 -43.33 71.55 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.222 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.73 -48.3 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.455 0.702 . . . . 0.0 110.471 171.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -58.53 -39.43 80.13 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.387 0.675 . . . . 0.0 110.594 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -61.1 -52.47 64.78 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.033 174.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.604 ' HA ' HG12 ' A' ' 45' ' ' ILE . 94.3 mt -60.65 -25.19 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.114 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.6 mt-10 -67.04 -31.84 72.65 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 122.28 -0.262 . . . . 0.0 110.343 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 4.2 m -59.35 -38.86 81.45 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 123.335 0.397 . . . . 0.0 111.897 168.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.604 HG12 ' HA ' ' A' ' 42' ' ' ILE . 4.7 mm -67.16 -40.29 84.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.53 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.7 mmmm -63.62 -19.26 64.72 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 17.7 mmm180 -73.95 -55.53 6.05 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.464 -174.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.51 ' ND2' ' SD ' ' B' ' 1' ' ' MET . 8.5 t30 -166.73 16.78 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -169.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.47 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 7.4 t -61.39 -36.87 81.47 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.381 -0.824 . . . . 0.0 112.711 -174.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.524 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.09 -22.27 66.74 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 175.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.17 -6.19 29.87 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-O 119.864 -0.409 . . . . 0.0 113.627 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.57 138.4 58.38 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.005 0.922 . . . . 0.0 111.182 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.67 151.25 47.75 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 122.863 0.465 . . . . 0.0 110.616 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.4 m -114.94 118.79 34.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.445 0.698 . . . . 0.0 109.317 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.0 t -127.97 126.13 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.434 1.094 . . . . 0.0 109.395 -172.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.537 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.9 p-10 -103.39 108.17 19.3 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.87 0.843 . . . . 0.0 110.431 172.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.06 -18.74 60.79 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.863 1.265 . . . . 0.0 111.625 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.602 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.0 t -86.76 -13.87 43.99 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.751 0.42 . . . . 0.0 111.829 -172.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -174.355 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.51 ' SD ' ' ND2' ' A' ' 48' ' ' ASN . 51.7 ttm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.22 170.81 9.46 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.094 0.473 . . . . 0.0 111.391 170.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -162.91 175.94 10.69 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.345 -173.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -94.32 112.8 24.61 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.607 1.163 . . . . 0.0 108.687 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -93.17 105.62 17.69 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.537 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 14.2 mt -99.53 120.31 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.602 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 27.2 p90 -137.84 -177.18 4.69 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -122.62 151.58 41.32 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 161.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.472 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 33.4 t70 -81.06 164.62 22.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 177.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -48.32 -35.67 12.79 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 125.411 1.484 . . . . 0.0 111.563 176.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.63 13.35 1.02 Allowed 'General case' 0 CA--C 1.564 1.5 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.447 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.22 21.31 77.16 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 124.273 0.94 . . . . 0.0 113.167 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 48.3 mt-10 -95.26 97.25 9.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.655 0.382 . . . . 0.0 111.086 -168.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.467 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 97.2 m-85 -53.75 124.78 16.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.879 0.472 . . . . 0.0 111.056 174.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -146.22 137.0 24.28 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 126.139 1.775 . . . . 0.0 108.192 -176.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -116.18 134.01 55.4 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -110.27 161.82 15.22 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.645 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 11.7 t80 -117.61 134.06 55.29 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 174.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -96.6 -178.84 4.4 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.764 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.33 164.82 26.87 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.282 1.033 . . . . 0.0 108.688 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 28.3 p -57.79 -26.65 62.23 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.513 0.725 . . . . 0.0 112.534 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -76.71 -6.94 54.25 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.8 0.84 . . . . 0.0 112.005 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.4 41.28 58.88 Favored Glycine 0 C--N 1.344 0.985 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 -173.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -120.66 138.55 53.87 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.2 1.0 . . . . 0.0 108.593 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 59.0 m -88.97 138.32 31.51 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.645 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.1 ppp? -115.12 -12.21 11.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.726 0.81 . . . . 0.0 111.844 -176.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.614 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 9.7 p90 -162.58 158.53 23.53 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.319 0.581 . . . . 0.0 111.342 163.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 75.6 m -119.62 133.03 55.82 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 113.171 -1.831 . . . . 0.0 106.511 168.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.611 ' HB3' ' HE2' ' B' ' 27' ' ' PHE . 92.9 p -98.7 178.66 4.92 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.415 1.007 . . . . 0.0 111.775 -171.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.31 -29.19 68.71 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.233 -1.803 . . . . 0.0 110.634 168.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 79.26 -10.92 32.89 Favored Glycine 0 C--N 1.357 1.729 0 CA-C-N 115.889 -0.596 . . . . 0.0 113.737 -172.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 72.2 t80 80.92 -61.12 0.23 Allowed 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.032 1.733 . . . . 0.0 110.508 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -156.37 -69.17 0.11 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.928 0.491 . . . . 0.0 110.824 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.489 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -133.23 -173.53 3.23 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.055 0.942 . . . . 0.0 109.447 -171.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.83 -50.59 62.1 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 118.684 0.675 . . . . 0.0 109.329 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.94 82.9 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.134 0.573 . . . . 0.0 110.966 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.489 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 2.8 m -72.33 -29.72 64.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.006 0.922 . . . . 0.0 110.539 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.13 -43.35 71.13 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.154 176.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.47 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 1.8 mp -56.99 -48.77 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.451 0.7 . . . . 0.0 110.414 171.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -57.17 -40.29 77.01 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.427 0.691 . . . . 0.0 110.758 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.51 -52.67 64.2 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.108 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.562 ' HA ' HG12 ' B' ' 45' ' ' ILE . 94.6 mt -60.33 -25.71 34.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.021 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.49 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 19.2 mm-40 -66.86 -31.88 72.79 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m -59.11 -38.63 80.02 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 168.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.562 HG12 ' HA ' ' B' ' 42' ' ' ILE . 3.6 mm -67.89 -40.07 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.4 mmmm -63.84 -18.78 64.49 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -177.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 26.7 mmt180 -74.54 -54.9 6.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.31 -173.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -167.25 16.63 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 -169.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.431 ' HB3' ' HA ' ' B' ' 45' ' ' ILE . 85.9 p -60.42 -37.74 81.84 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -175.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.2 -22.39 66.84 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.391 0.676 . . . . 0.0 112.207 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.95 -6.07 30.39 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-O 119.785 -0.453 . . . . 0.0 113.723 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.75 137.75 57.98 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.144 0.978 . . . . 0.0 111.172 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.415 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 17.2 t0 -65.49 151.2 46.95 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.196 0.598 . . . . 0.0 110.776 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.8 m -115.5 119.3 35.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.276 0.63 . . . . 0.0 109.522 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.92 126.04 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.36 1.064 . . . . 0.0 109.092 -172.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.554 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 7.8 p-10 -102.99 107.39 18.17 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.543 0.611 . . . . 0.0 110.447 171.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 60.8 mt -72.47 -15.48 61.81 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.878 1.271 . . . . 0.0 111.717 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.553 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.8 t -90.7 24.27 2.76 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 124.276 1.03 . . . . 0.0 110.54 -177.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.1 p . . . . . 0 N--CA 1.501 2.114 0 C-N-CA 126.331 1.852 . . . . 0.0 114.406 178.809 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttm . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -66.99 167.41 11.82 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 121.082 0.468 . . . . 0.0 111.339 169.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.431 ' HA ' ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -168.29 -175.42 2.57 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.366 -165.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -103.92 121.64 43.53 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.855 0.862 . . . . 0.0 108.767 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -96.45 112.51 24.22 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.9 mt -102.39 119.72 51.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.521 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 27.4 p90 -133.05 -176.49 4.14 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.58 148.73 47.66 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 170.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.95 173.87 7.22 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 123.457 0.703 . . . . 0.0 109.986 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -45.44 -33.61 2.71 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 125.752 1.908 . . . . 0.0 114.163 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.458 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -72.22 2.6 5.69 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.982 0.913 . . . . 0.0 112.315 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.9 38.33 96.39 Favored Glycine 0 C--N 1.354 1.564 0 C-N-CA 123.93 0.776 . . . . 0.0 112.301 -173.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -125.72 152.84 44.77 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -92.4 132.89 36.39 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -168.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -125.55 139.52 53.53 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.756 1.623 . . . . 0.0 109.149 -173.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.505 ' HD1' ' H ' ' A' ' 31' ' ' GLY . 5.0 p90 -106.06 157.47 17.51 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 175.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -143.49 133.03 23.55 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 124.148 0.905 . . . . 0.0 110.336 157.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.473 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.1 t80 -97.44 125.85 42.34 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 176.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -96.14 -180.0 4.86 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.446 -170.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -130.03 159.94 35.19 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.73 176.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -51.6 -32.38 28.58 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.535 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 6.7 t30 -78.3 -6.5 55.22 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.091 0.556 . . . . 0.0 111.566 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.53 12.52 69.48 Favored Glycine 0 C--N 1.346 1.085 0 C-N-CA 123.001 0.334 . . . . 0.0 112.669 -172.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.535 ' HG2' ' HB3' ' A' ' 22' ' ' ASN . 23.0 mm-40 -75.63 164.63 26.1 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.731 0.812 . . . . 0.0 110.406 175.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.9 m -128.78 124.23 34.92 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 176.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.473 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -99.42 -16.7 18.29 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.596 -173.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.15 165.36 19.85 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 161.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.8 p -175.4 145.37 0.74 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.841 -174.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 p 166.72 -93.81 0.0 OUTLIER 'General case' 0 C--N 1.37 1.482 0 O-C-N 124.716 1.26 . . . . 0.0 111.684 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.38 -54.65 29.47 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -157.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.505 ' H ' ' HD1' ' A' ' 16' ' ' PHE . . . 64.99 10.89 49.01 Favored Glycine 0 N--CA 1.492 2.416 0 C-N-CA 123.245 0.45 . . . . 0.0 114.203 -168.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.1 t80 71.03 -74.88 0.08 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.661 1.984 . . . . 0.0 110.273 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -167.66 -79.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.894 0.477 . . . . 0.0 111.262 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.59 165.49 11.63 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.212 1.005 . . . . 0.0 109.651 -171.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -47.82 83.56 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 119.481 1.037 . . . . 0.0 112.794 -172.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.8 -47.88 70.37 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 121.267 0.556 . . . . 0.0 110.912 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.5 m -74.7 -24.03 58.7 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.302 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.31 -55.77 12.51 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.552 0.741 . . . . 0.0 110.165 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 mp -58.87 -47.33 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.041 0.536 . . . . 0.0 110.344 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -55.76 -38.31 69.68 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 123.87 0.731 . . . . 0.0 111.848 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -60.21 -54.84 41.07 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.471 ' HA ' HG12 ' A' ' 45' ' ' ILE . 76.3 mt -61.01 -22.38 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 122.842 0.457 . . . . 0.0 111.869 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.5 mt-10 -68.64 -34.19 75.31 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.456 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 4.3 m -55.01 -36.68 65.71 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 124.137 0.898 . . . . 0.0 112.008 171.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.604 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.5 mm -68.3 -41.47 83.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -176.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.593 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -71.44 -16.16 62.37 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 123.862 0.865 . . . . 0.0 112.403 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 15.4 mmt180 -69.9 -56.14 7.85 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.566 0.541 . . . . 0.0 111.123 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -169.2 16.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -170.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.604 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.9 t -66.37 -35.75 81.14 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 121.691 -0.631 . . . . 0.0 112.693 -176.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.59 -31.21 72.0 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.773 0.32 . . . . 0.0 111.227 172.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.75 -2.59 64.88 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.838 177.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' B' ' 3' ' ' LYS . . . -71.33 164.66 25.29 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.303 0.641 . . . . 0.0 110.648 177.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -93.44 162.24 14.06 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.029 0.532 . . . . 0.0 110.181 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.7 m -112.15 99.49 8.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.72 0.808 . . . . 0.0 108.832 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.9 t -100.23 128.94 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.423 1.089 . . . . 0.0 109.641 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -110.53 110.39 21.09 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.214 0.606 . . . . 0.0 109.615 173.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.475 HD11 ' HB3' ' B' ' 5' ' ' GLU . 42.4 mt -74.86 -32.41 61.89 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.817 1.247 . . . . 0.0 112.859 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.56 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 13.1 t -93.3 0.19 56.9 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 118.487 0.585 . . . . 0.0 112.099 -162.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.645 HG21 ' HD2' ' B' ' 35' ' ' LYS . 81.1 p . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.9 ttm . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -71.89 166.63 21.72 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 121.195 0.521 . . . . 0.0 111.388 170.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . 0.41 ' HA ' ' HB1' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -169.92 -175.08 1.96 Allowed 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.916 -166.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -103.68 122.29 44.73 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.841 0.857 . . . . 0.0 108.784 177.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.475 ' HB3' HD11 ' A' ' 57' ' ' LEU . 39.2 mt-10 -97.7 112.26 24.22 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.4 mt -101.96 119.19 49.9 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.56 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 23.2 p90 -132.6 -176.46 4.1 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.58 149.55 46.91 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 170.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.69 173.81 7.14 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 123.456 0.702 . . . . 0.0 109.714 178.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -45.86 -33.4 3.15 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 125.724 1.89 . . . . 0.0 114.094 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.454 ' N ' ' HD3' ' B' ' 10' ' ' LYS . . . -72.41 2.62 5.9 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.206 1.003 . . . . 0.0 112.171 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.75 37.98 95.51 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 123.603 0.62 . . . . 0.0 112.302 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.416 ' HB2' ' NH1' ' B' ' 15' ' ' ARG . 46.0 mt-10 -126.23 152.73 45.68 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -174.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.434 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 46.2 m-85 -91.4 132.19 36.37 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -169.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -123.43 138.81 54.51 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.427 1.891 . . . . 0.0 108.988 -174.32 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.646 ' HE1' ' HB1' ' B' ' 38' ' ' ALA . 11.6 m-85 -103.28 157.76 16.79 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 173.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -143.49 132.92 23.41 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.222 0.951 . . . . 0.0 110.626 155.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.47 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 14.6 t80 -96.81 126.02 41.67 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 175.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -96.59 179.46 4.99 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.341 -170.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -129.41 159.99 34.5 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.949 1.299 . . . . 0.0 108.876 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -51.6 -33.09 31.3 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.34 1.056 . . . . 0.0 113.578 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -77.31 -7.02 55.33 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.358 0.663 . . . . 0.0 112.129 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.97 11.71 69.64 Favored Glycine 0 N--CA 1.468 0.819 0 C-N-CA 122.909 0.29 . . . . 0.0 112.684 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 32.5 mt-10 -74.65 165.49 25.13 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.62 0.768 . . . . 0.0 110.449 174.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 12.8 m -129.58 124.01 32.74 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.562 ' HE1' ' HD1' ' B' ' 27' ' ' PHE . 1.6 ppp? -99.57 -15.82 18.48 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.771 -173.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.562 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 6.0 p90 -165.09 166.47 19.12 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.464 0.65 . . . . 0.0 110.899 161.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -175.24 146.91 0.86 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 113.473 -1.694 . . . . 0.0 108.383 -176.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.525 ' O ' ' HG3' ' B' ' 15' ' ' ARG . 2.2 m 165.33 -94.45 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 124.795 1.309 . . . . 0.0 111.718 178.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.656 ' HG2' ' H ' ' B' ' 32' ' ' TYR . 0.0 OUTLIER -63.33 -53.86 46.01 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -157.673 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 65.35 9.1 41.21 Favored Glycine 0 N--CA 1.478 1.487 0 N-CA-C 114.638 0.615 . . . . 0.0 114.638 -167.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.656 ' H ' ' HG2' ' B' ' 30' ' ' GLU . 63.0 t80 71.5 -75.59 0.07 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.563 1.945 . . . . 0.0 109.804 -177.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -167.1 -79.97 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.753 0.421 . . . . 0.0 111.617 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.93 165.32 11.67 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.083 0.953 . . . . 0.0 109.514 -172.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.645 ' HD2' HG21 ' A' ' 59' ' ' THR . 52.9 tttp -60.84 -49.09 78.87 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 119.222 0.919 . . . . 0.0 112.417 -172.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.94 -48.04 67.63 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.684 0.394 . . . . 0.0 110.784 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.0 m -75.1 -23.22 57.91 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.31 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.646 ' HB1' ' HE1' ' B' ' 16' ' ' PHE . . . -67.03 -56.53 9.71 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.903 0.881 . . . . 0.0 110.323 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.37 -47.61 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.291 0.637 . . . . 0.0 110.632 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -55.2 -38.82 68.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.757 0.661 . . . . 0.0 111.399 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -60.8 -54.62 42.92 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.481 ' HA ' HG12 ' B' ' 45' ' ' ILE . 77.5 mt -60.4 -23.16 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 80.0 mt-10 -68.3 -33.85 75.08 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 14.6 m -54.94 -37.06 65.95 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 123.913 0.758 . . . . 0.0 111.794 171.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.593 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.8 mm -68.2 -41.63 84.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -176.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.602 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -71.34 -16.63 62.44 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 124.038 0.935 . . . . 0.0 112.319 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 63.0 mtt180 -69.11 -56.58 7.27 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.57 17.02 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -170.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.593 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 17.7 t -66.62 -35.6 80.56 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.11 -32.05 73.33 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 120.65 0.262 . . . . 0.0 111.176 173.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.8 -1.78 67.58 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 116.027 -0.533 . . . . 0.0 113.011 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.431 ' HB1' ' HA ' ' A' ' 3' ' ' LYS . . . -71.65 164.29 26.18 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.318 0.647 . . . . 0.0 110.572 177.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -93.49 162.06 14.12 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.085 0.554 . . . . 0.0 110.009 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.7 m -112.26 99.92 8.41 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 39.1 t -100.48 128.75 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.183 0.993 . . . . 0.0 109.555 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -109.83 110.17 21.07 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.402 0.681 . . . . 0.0 109.973 173.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.75 -30.78 61.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.066 1.346 . . . . 0.0 112.7 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.521 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 8.2 t -96.87 14.84 23.92 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.541 -165.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.497 1.89 0 C-N-CA 125.914 1.686 . . . . 0.0 114.587 -177.91 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttp . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -66.82 156.63 35.08 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.218 0.533 . . . . 0.0 111.337 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.48 -179.11 4.76 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.611 -166.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 55.5 m-85 -103.87 117.26 33.9 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.976 -179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -94.24 113.22 25.09 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.5 mt -102.3 119.85 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.636 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 34.4 p90 -138.13 178.45 7.11 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.567 HE21 ' HA2' ' A' ' 12' ' ' GLY . 9.4 pt20 -122.94 152.25 41.02 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 166.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.31 161.44 25.07 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -34.27 62.18 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.519 0.727 . . . . 0.0 111.194 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.56 0.62 0.3 Allowed 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 124.635 1.174 . . . . 0.0 113.768 172.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.567 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 78.91 20.79 69.73 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 124.536 1.065 . . . . 0.0 113.044 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -104.31 103.51 13.27 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.475 0.31 . . . . 0.0 111.438 -167.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -60.33 136.57 58.08 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.52 140.03 13.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 113.475 -1.693 . . . . 0.0 109.175 173.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -108.8 171.68 7.28 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-O 121.417 0.627 . . . . 0.0 109.989 170.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 12.5 ptp180 -148.01 167.51 24.73 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.833 174.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.509 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 12.6 t80 -118.27 132.91 56.27 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 174.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -101.07 -178.23 3.69 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.52 -173.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.13 160.07 38.93 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.517 1.127 . . . . 0.0 108.404 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.2 m -42.98 -44.11 4.49 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -89.54 -3.39 58.35 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 123.439 0.695 . . . . 0.0 111.425 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.91 22.41 8.88 Favored Glycine 0 N--CA 1.475 1.256 0 N-CA-C 114.625 0.61 . . . . 0.0 114.625 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.64 163.85 23.3 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.798 0.439 . . . . 0.0 109.91 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 m -130.47 144.45 51.41 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 172.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.509 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.8 ppp? -126.23 -22.04 4.13 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.329 0.652 . . . . 0.0 112.037 -173.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.736 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 1.4 p90 -149.82 158.51 44.24 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 117.977 0.353 . . . . 0.0 110.243 168.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -168.38 -179.13 3.82 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 125.059 1.474 . . . . 0.0 110.874 178.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 m 93.69 17.47 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.181 1.393 . . . . 0.0 113.24 156.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.701 ' HG2' ' HA ' ' B' ' 27' ' ' PHE . 11.1 tp10 -101.39 -92.96 0.3 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 123.21 0.604 . . . . 0.0 110.484 173.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.49 -20.28 38.98 Favored Glycine 0 N--CA 1.483 1.798 0 C-N-CA 123.372 0.511 . . . . 0.0 112.158 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 3.3 t80 78.92 -57.29 0.43 Allowed 'General case' 0 C--N 1.352 0.698 0 C-N-CA 126.904 2.082 . . . . 0.0 110.946 172.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -159.62 -55.39 0.06 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.683 0.793 . . . . 0.0 109.671 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.404 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -144.14 -176.2 4.92 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -177.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.525 ' O ' HD12 ' A' ' 39' ' ' ILE . 16.9 ptpt -70.1 -39.34 75.59 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.706 0.684 . . . . 0.0 110.019 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.32 88.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.285 0.634 . . . . 0.0 110.487 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.404 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 14.2 m -66.01 -27.5 68.17 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.824 175.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.11 -51.76 29.01 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.804 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 35' ' ' LYS . 4.0 mp -54.37 -53.04 33.5 Favored 'Isoleucine or valine' 0 C--N 1.374 1.646 0 CA-C-N 118.84 0.745 . . . . 0.0 109.945 175.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -57.14 -40.75 77.81 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 123.562 0.745 . . . . 0.0 111.553 -177.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -57.17 -56.56 20.19 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 173.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.7 -24.36 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 C-N-CA 123.753 0.821 . . . . 0.0 112.379 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 25.7 mm-40 -70.24 -26.9 64.06 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.756 -0.59 . . . . 0.0 110.244 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 58.3 m -54.35 -38.39 66.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 123.556 0.535 . . . . 0.0 111.727 165.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 5.8 mm -68.89 -39.55 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -176.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.607 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -70.41 -15.32 62.83 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.938 0.895 . . . . 0.0 112.51 179.663 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 31.3 mmm180 -63.44 -61.02 2.61 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 123.977 0.798 . . . . 0.0 110.971 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -173.14 19.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.608 0.568 . . . . 0.0 111.254 -173.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 20.5 t -65.14 -31.75 73.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -176.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.5 -27.38 69.1 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 120.865 0.364 . . . . 0.0 111.59 171.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.78 -0.15 55.24 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 115.784 -0.643 . . . . 0.0 113.195 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.35 166.86 20.74 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 117.338 0.569 . . . . 0.0 110.921 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -96.73 162.97 13.2 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.294 0.638 . . . . 0.0 109.749 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.7 m -115.42 99.47 7.4 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.078 0.951 . . . . 0.0 109.482 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.82 126.6 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.558 0.743 . . . . 0.0 110.021 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.424 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.8 p-10 -99.93 108.33 20.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.349 0.66 . . . . 0.0 110.006 176.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -74.08 -16.5 61.03 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.42 1.088 . . . . 0.0 111.627 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.56 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 11.4 t -97.81 32.97 2.19 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 124.801 1.24 . . . . 0.0 109.596 -178.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 N--CA 1.498 1.925 0 C-N-CA 124.836 1.254 . . . . 0.0 113.071 171.682 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -75.31 147.32 40.26 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.576 0.703 . . . . 0.0 110.555 166.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.96 -179.86 6.01 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 124.947 1.299 . . . . 0.0 109.434 -167.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -104.6 117.29 33.76 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.93 0.892 . . . . 0.0 109.973 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -95.14 112.97 24.61 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.441 HD11 HD12 ' B' ' 42' ' ' ILE . 61.3 mt -102.19 119.51 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.445 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.56 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 50.7 p90 -137.17 178.12 7.33 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -122.16 154.2 37.74 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 163.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.37 161.52 23.75 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -53.76 -35.75 61.6 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.695 0.798 . . . . 0.0 110.545 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.69 0.53 0.2 Allowed 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 173.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.51 21.47 69.44 Favored Glycine 0 C--N 1.361 1.96 0 C-N-CA 124.984 1.278 . . . . 0.0 112.901 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.456 ' O ' ' HD2' ' B' ' 15' ' ' ARG . 24.2 mm-40 -104.64 103.19 12.8 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.661 0.384 . . . . 0.0 110.956 -167.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -60.96 135.75 57.88 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 177.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' B' ' 13' ' ' GLU . 2.1 mpt_? -156.0 140.57 16.89 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.924 1.69 . . . . 0.0 107.997 174.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -109.47 172.63 6.74 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-O 121.404 0.621 . . . . 0.0 109.681 168.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -148.52 167.48 25.26 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.04 -1.436 . . . . 0.0 110.427 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.505 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 12.7 t80 -118.44 133.16 56.1 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 173.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -101.16 -178.21 3.68 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.48 -173.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -133.96 159.36 40.96 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.67 1.188 . . . . 0.0 108.277 175.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 65.6 p -42.52 -43.84 3.87 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -90.96 -3.14 57.52 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.692 0.397 . . . . 0.0 111.326 -174.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.36 21.65 8.7 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 114.777 0.671 . . . . 0.0 114.777 176.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 12.4 mp0 -80.33 163.58 23.8 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.952 0.501 . . . . 0.0 109.683 177.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 29.5 m -130.2 144.82 51.59 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 171.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.505 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.6 ppp? -127.13 -21.72 3.89 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.319 0.648 . . . . 0.0 112.113 -173.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.701 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 3.2 p90 -149.81 157.33 43.09 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 120.492 0.186 . . . . 0.0 110.959 167.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t -167.7 179.56 4.76 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 124.961 1.413 . . . . 0.0 110.329 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.431 ' HA ' ' HG2' ' B' ' 15' ' ' ARG . 25.2 p 94.78 19.57 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 125.763 1.625 . . . . 0.0 113.517 156.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.736 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -103.95 -94.25 0.33 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 124.504 1.121 . . . . 0.0 109.757 175.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.76 -19.49 44.78 Favored Glycine 0 C--N 1.356 1.652 0 C-N-CA 123.936 0.779 . . . . 0.0 111.785 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.5 t80 78.6 -56.95 0.45 Allowed 'General case' 0 C--N 1.354 0.795 0 C-N-CA 126.987 2.115 . . . . 0.0 111.111 172.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -159.57 -55.74 0.06 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.907 0.883 . . . . 0.0 109.55 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.418 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -144.63 -176.98 5.27 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.451 1.101 . . . . 0.0 108.077 -176.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.463 ' O ' HD12 ' B' ' 39' ' ' ILE . 0.0 OUTLIER -69.38 -40.1 77.62 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.837 0.744 . . . . 0.0 110.056 -179.436 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.1 -46.07 89.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.983 0.513 . . . . 0.0 110.557 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.418 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 18.8 m -66.31 -27.43 67.91 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.827 0.851 . . . . 0.0 110.882 175.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.26 -51.13 32.85 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.97 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.463 HD12 ' O ' ' B' ' 35' ' ' LYS . 3.6 mp -54.35 -52.69 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.846 0.748 . . . . 0.0 109.878 175.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -58.21 -40.78 82.48 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.845 0.858 . . . . 0.0 110.908 -176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -57.52 -56.07 26.64 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.441 HD12 HD11 ' B' ' 6' ' ' ILE . 77.7 mt -57.74 -24.28 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 123.804 0.842 . . . . 0.0 112.306 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' B' ' 39' ' ' ILE . 22.9 mm-40 -70.86 -26.41 63.25 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.831 -0.543 . . . . 0.0 110.356 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 27.1 m -53.95 -38.61 65.13 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 123.356 0.41 . . . . 0.0 111.8 164.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.496 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.1 mm -69.0 -39.33 79.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.609 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -70.17 -15.67 62.98 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.877 0.871 . . . . 0.0 112.355 179.603 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -63.67 -60.92 2.7 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.907 0.755 . . . . 0.0 110.981 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -172.77 19.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.449 0.468 . . . . 0.0 111.191 -173.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.496 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 21.9 t -65.01 -31.79 73.2 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.736 -0.602 . . . . 0.0 112.558 -175.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.0 -28.78 69.81 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 122.577 0.351 . . . . 0.0 111.538 171.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.69 0.82 56.7 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-O 119.487 -0.618 . . . . 0.0 113.648 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.14 166.79 20.71 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 117.415 0.608 . . . . 0.0 110.936 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -97.37 163.56 12.83 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 31.4 m -115.21 100.09 7.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.96 0.904 . . . . 0.0 109.582 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 20.9 t -106.36 125.91 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.584 0.753 . . . . 0.0 109.53 -177.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.66 109.73 22.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.02 0.528 . . . . 0.0 109.747 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 64.0 mt -76.29 -20.18 57.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.796 0.838 . . . . 0.0 112.657 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.636 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.2 t -93.27 15.88 14.49 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-O 121.134 0.492 . . . . 0.0 111.367 -171.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 165.233 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.1 ttm . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.52 149.12 49.28 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.33 0.586 . . . . 0.0 110.979 171.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.23 175.37 9.32 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.051 -171.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -100.83 108.08 19.78 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.358 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -93.51 110.07 21.66 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.1 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mt -101.19 118.64 48.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -175.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.646 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 45.1 p90 -137.89 -177.56 4.87 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.596 HE21 ' HA2' ' A' ' 12' ' ' GLY . 10.9 pt20 -127.19 156.29 42.06 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 166.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.454 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 33.0 t70 -84.95 161.35 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -48.84 -34.5 12.62 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.784 1.234 . . . . 0.0 112.953 175.594 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.462 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -73.1 9.76 1.13 Allowed 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 124.287 1.035 . . . . 0.0 112.744 175.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.596 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 74.87 16.32 80.49 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 124.657 1.123 . . . . 0.0 113.041 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 41.8 mt-10 -89.48 96.4 10.69 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 116.707 0.254 . . . . 0.0 111.048 -167.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.416 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 84.3 m-85 -55.6 113.9 1.64 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.564 0.697 . . . . 0.0 111.809 175.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -136.2 135.99 39.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 113.246 -1.797 . . . . 0.0 107.619 -178.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -123.38 169.7 11.08 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.098 0.475 . . . . 0.0 109.746 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -140.72 172.17 13.07 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.815 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -126.32 140.5 52.46 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 167.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -98.68 -177.58 3.71 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.152 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.86 160.27 31.43 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.849 1.259 . . . . 0.0 107.776 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -50.69 -29.18 10.57 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.482 1.113 . . . . 0.0 113.904 177.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -89.21 7.34 35.86 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.406 0.682 . . . . 0.0 111.541 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.47 32.37 47.32 Favored Glycine 0 C--N 1.346 1.087 0 C-N-CA 123.054 0.359 . . . . 0.0 113.051 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -107.13 125.23 50.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.523 0.729 . . . . 0.0 109.939 -174.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -78.6 133.54 37.28 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 170.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.417 ' HB2' ' HE2' ' A' ' 26' ' ' MET . 1.3 ppp? -116.13 -18.9 10.49 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.855 -174.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.571 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 0.1 OUTLIER -163.51 168.76 19.73 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.575 0.35 . . . . 0.0 111.602 162.659 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.9 t -176.26 -176.42 0.78 Allowed 'General case' 0 N--CA 1.471 0.601 0 O-C-N 125.013 1.446 . . . . 0.0 111.739 -170.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 m 92.99 -7.03 0.16 Allowed 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.371 1.068 . . . . 0.0 112.947 156.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.598 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 10.5 tp10 -79.99 -88.59 0.07 Allowed 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 176.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 92.74 -16.54 59.99 Favored Glycine 0 N--CA 1.477 1.374 0 CA-C-O 119.947 -0.363 . . . . 0.0 112.405 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.598 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 69.2 t80 75.63 -65.22 0.33 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.548 1.939 . . . . 0.0 111.254 176.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -150.51 -58.22 0.18 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.486 0.715 . . . . 0.0 109.851 -177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.54 -176.41 5.23 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 59.7 pttt -70.0 -41.51 74.27 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.185 0.902 . . . . 0.0 111.587 -176.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.83 87.02 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.826 0.451 . . . . 0.0 110.586 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 m -66.85 -24.46 66.15 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.143 176.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 35' ' ' LYS . . . -68.72 -43.98 74.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.568 0.747 . . . . 0.0 110.336 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.6 mp -55.69 -48.39 77.9 Favored 'Isoleucine or valine' 0 C--N 1.368 1.373 0 CA-C-O 119.179 -0.438 . . . . 0.0 110.262 172.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -56.72 -41.25 77.13 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.11 0.564 . . . . 0.0 111.274 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.9 -55.98 27.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.919 171.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -58.33 -27.56 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.783 0.833 . . . . 0.0 112.167 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 48.4 mt-10 -67.19 -29.51 69.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.671 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -56.97 -40.56 76.75 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.536 0.523 . . . . 0.0 111.589 168.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.468 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 4.3 mm -68.45 -44.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.106 -174.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 9.5 mmmm -58.41 -23.24 56.7 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 114.707 -1.133 . . . . 0.0 113.769 -176.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -66.03 -55.67 15.47 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.2 0.937 . . . . 0.0 111.861 -175.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -175.75 18.85 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 123.525 0.516 . . . . 0.0 111.518 -168.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.468 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.7 t -64.24 -32.71 74.41 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -176.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.23 -25.72 67.97 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.74 0.416 . . . . 0.0 111.924 171.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.07 -0.49 51.42 Favored Glycine 0 C--N 1.35 1.356 0 N-CA-C 114.507 0.563 . . . . 0.0 114.507 173.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.87 170.55 5.28 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.544 0.738 . . . . 0.0 111.887 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -97.33 160.3 14.41 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 121.999 -0.438 . . . . 0.0 110.221 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.404 HG23 HD13 ' B' ' 42' ' ' ILE . 25.2 m -114.8 99.07 7.22 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.427 0.691 . . . . 0.0 109.322 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 t -100.03 132.04 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.574 1.149 . . . . 0.0 109.915 -176.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -110.11 110.41 21.29 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.513 0.725 . . . . 0.0 109.563 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 57' ' ' LEU . 2.5 mm? -89.23 -17.13 29.67 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.828 1.251 . . . . 0.0 112.893 -178.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.675 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 15.3 t -97.52 -1.92 42.99 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 118.328 -0.844 . . . . 0.0 111.971 -170.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.481 1.125 0 O-C-N 125.798 1.936 . . . . 0.0 113.557 -165.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.67 138.68 57.6 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.331 0.586 . . . . 0.0 110.831 167.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.54 174.89 12.03 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 124.949 1.3 . . . . 0.0 109.856 -171.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.545 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 90.5 m-85 -100.71 107.91 19.64 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.187 0.995 . . . . 0.0 109.458 -177.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -93.53 110.34 21.93 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -101.31 118.31 47.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.675 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 37.1 p90 -137.59 -177.74 4.93 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -127.42 156.05 42.68 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 166.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.465 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 23.0 t70 -84.64 161.99 19.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -49.68 -35.53 21.9 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.312 1.445 . . . . 0.0 112.063 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.38 9.48 0.79 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.071 0.948 . . . . 0.0 112.837 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.86 16.76 79.26 Favored Glycine 0 C--N 1.346 1.087 0 C-N-CA 124.986 1.279 . . . . 0.0 112.803 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.465 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 22.7 mm-40 -88.3 95.65 10.27 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.001 0.52 . . . . 0.0 111.038 -168.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.405 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 70.9 m-85 -55.26 114.04 1.63 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.464 0.65 . . . . 0.0 111.865 174.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -136.88 135.74 38.09 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 125.973 1.709 . . . . 0.0 107.869 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -123.53 169.77 11.08 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.158 0.504 . . . . 0.0 109.746 172.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -141.05 172.46 12.65 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.905 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -126.33 140.34 52.59 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 167.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -97.93 -177.61 3.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.836 -1.074 . . . . 0.0 111.316 -176.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -127.25 159.88 33.0 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.744 1.217 . . . . 0.0 107.769 173.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.2 p -50.76 -28.74 9.83 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.0 7.03 36.86 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.731 0.812 . . . . 0.0 111.265 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.12 33.96 43.27 Favored Glycine 0 C--N 1.347 1.173 0 C-N-CA 123.052 0.358 . . . . 0.0 112.744 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.403 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 41.1 mt-10 -109.12 124.8 51.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.599 0.76 . . . . 0.0 109.725 -174.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -78.09 134.29 37.74 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 171.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.459 ' HB2' ' HE2' ' B' ' 26' ' ' MET . 1.4 ppp? -116.88 -18.98 10.04 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.8 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.01 167.71 22.06 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.851 0.46 . . . . 0.0 111.898 162.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -174.76 -176.09 0.98 Allowed 'General case' 0 C--O 1.241 0.629 0 O-C-N 125.029 1.456 . . . . 0.0 111.563 -171.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t 93.14 -5.05 0.14 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.85 1.26 . . . . 0.0 113.465 156.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.571 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -81.58 -90.06 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.446 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 93.25 -16.22 61.1 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 112.302 -0.319 . . . . 0.0 112.302 -176.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 32.2 t80 74.72 -65.59 0.34 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.551 1.94 . . . . 0.0 111.401 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -149.97 -58.6 0.19 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.709 0.804 . . . . 0.0 109.995 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.12 -175.93 5.02 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.428 1.091 . . . . 0.0 108.206 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' B' ' 38' ' ' ALA . 0.0 OUTLIER -70.03 -41.83 73.75 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.136 0.88 . . . . 0.0 110.993 -176.166 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.56 88.87 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.788 0.435 . . . . 0.0 110.53 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 66.5 m -66.27 -24.29 66.54 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.608 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 35' ' ' LYS . . . -68.75 -43.69 75.33 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.341 0.656 . . . . 0.0 110.376 176.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 mp -56.54 -47.86 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 118.212 0.46 . . . . 0.0 110.199 172.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -56.67 -41.21 76.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 123.543 0.527 . . . . 0.0 111.46 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.7 -55.98 27.26 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.83 171.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 54' ' ' THR . 64.0 mt -58.65 -27.39 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.434 0.694 . . . . 0.0 112.06 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.4 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 45.4 mt-10 -66.92 -29.41 69.28 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.819 0.448 . . . . 0.0 110.67 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.8 m -57.97 -40.09 79.74 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.658 0.599 . . . . 0.0 111.515 169.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.545 HG21 ' HZ ' ' B' ' 4' ' ' PHE . 4.5 mm -68.55 -44.51 82.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -174.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.4 mmmm -59.58 -23.37 62.88 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 114.722 -1.126 . . . . 0.0 113.215 -175.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -64.36 -55.82 18.55 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.322 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -176.28 18.55 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 122.986 0.514 . . . . 0.0 111.648 -167.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.462 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.4 t -64.97 -32.66 74.49 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 121.527 -0.733 . . . . 0.0 112.421 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.7 -24.9 67.9 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 122.799 0.44 . . . . 0.0 111.743 171.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.08 -1.08 51.48 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 114.504 0.562 . . . . 0.0 114.504 173.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.95 170.63 5.27 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.659 0.784 . . . . 0.0 111.745 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.92 160.58 14.21 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 122.014 -0.429 . . . . 0.0 110.395 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 26.3 m -114.97 99.32 7.37 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.545 0.738 . . . . 0.0 109.433 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.1 t -100.3 131.92 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.774 1.23 . . . . 0.0 109.709 -176.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -109.74 109.93 20.78 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.733 0.813 . . . . 0.0 109.724 176.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.421 HD22 ' N ' ' B' ' 57' ' ' LEU . 2.6 mm? -89.02 -18.31 27.61 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.962 1.305 . . . . 0.0 112.883 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.646 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 7.8 t -80.54 16.94 1.2 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.954 0.407 . . . . 0.0 111.973 -172.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 167.163 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.464 ' SD ' ' ND2' ' B' ' 48' ' ' ASN . 51.8 ttm . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.558 0.218 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -67.4 165.77 15.88 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.545 0.738 . . . . 0.0 112.714 173.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.19 179.34 7.99 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.916 -167.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -100.51 124.9 46.67 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 124.189 0.996 . . . . 0.0 109.086 177.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -101.23 104.53 15.58 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.748 0.419 . . . . 0.0 110.381 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.5 mt -95.32 126.65 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.544 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 13.4 p90 -154.25 -174.02 4.8 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -127.31 164.39 21.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 165.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -113.33 176.19 5.13 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -39.14 -39.37 0.58 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 127.305 2.242 . . . . 0.0 114.245 -173.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.4 8.56 3.33 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.56 25.14 71.4 Favored Glycine 0 C--N 1.357 1.737 0 C-N-CA 124.1 0.857 . . . . 0.0 112.124 -174.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -98.6 123.88 43.05 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -172.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -83.0 128.03 34.1 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -173.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.19 137.46 30.83 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 114.421 -1.263 . . . . 0.0 108.88 176.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -106.96 161.12 15.01 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.233 0.54 . . . . 0.0 110.007 169.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.508 ' HG3' ' HE1' ' A' ' 7' ' ' TYR . 59.0 mtp180 -113.71 164.9 13.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.136 1.374 . . . . 0.0 107.913 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.552 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 17.2 t80 -124.97 127.19 46.65 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 156.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -98.46 -179.4 4.32 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.155 -171.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.93 158.36 39.74 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.579 1.152 . . . . 0.0 108.636 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.8 p -46.03 -39.24 8.88 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -88.79 1.13 55.76 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.235 0.614 . . . . 0.0 111.57 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.18 23.38 32.27 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 123.235 0.445 . . . . 0.0 113.988 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -83.24 154.63 24.09 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 173.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.9 m -110.78 138.69 46.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 168.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.552 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.7 ppp? -115.62 -31.91 5.7 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.374 0.67 . . . . 0.0 111.003 -175.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.482 ' N ' ' SD ' ' A' ' 26' ' ' MET . 1.3 p90 -143.69 159.77 41.89 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.526 0.679 . . . . 0.0 109.491 165.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.3 p -170.53 -177.86 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.464 -1.698 . . . . 0.0 109.782 176.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t 68.3 39.05 2.37 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.223 0.609 . . . . 0.0 112.027 156.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -72.57 -33.07 66.51 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.729 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.67 52.47 42.49 Favored Glycine 0 C--N 1.359 1.827 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -71.08 -65.94 0.68 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.403 0.281 . . . . 0.0 110.391 -162.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -167.73 -71.05 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.035 0.445 . . . . 0.0 110.381 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -140.17 179.78 6.43 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.78 0.832 . . . . 0.0 109.727 -172.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.493 ' NZ ' HG23 ' B' ' 58' ' ' THR . 17.7 ttmm -65.59 -50.4 65.24 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.459 0.572 . . . . 0.0 111.004 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.31 81.32 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.898 0.479 . . . . 0.0 111.018 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 15.4 m -66.22 -35.62 80.92 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.794 176.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.32 77.43 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 123.709 0.804 . . . . 0.0 110.788 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -56.06 -48.2 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.271 0.628 . . . . 0.0 111.58 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -59.04 -38.54 79.57 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 123.528 0.518 . . . . 0.0 111.183 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.416 ' HB1' ' HE2' ' B' ' 26' ' ' MET . . . -59.17 -57.45 12.99 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.008 172.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.17 -26.59 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.032 0.533 . . . . 0.0 111.707 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 36.6 mt-10 -64.86 -34.28 78.01 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-O 119.047 -0.501 . . . . 0.0 110.14 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 33.5 m -53.33 -40.3 64.75 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 124.103 0.877 . . . . 0.0 111.749 171.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.549 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.5 mm -67.45 -44.34 86.9 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -175.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.557 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 8.4 mmmm -61.66 -29.44 70.07 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.206 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.9 mmt180 -62.49 -52.8 62.05 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 124.256 0.972 . . . . 0.0 112.226 -174.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -171.99 15.74 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -168.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.549 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 17.4 t -67.58 -36.12 80.31 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.513 -0.742 . . . . 0.0 112.992 -172.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.555 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.05 -27.88 69.21 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 122.507 0.323 . . . . 0.0 111.598 173.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.69 -3.34 56.19 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-O 119.457 -0.635 . . . . 0.0 113.953 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.44 164.83 15.51 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.771 0.829 . . . . 0.0 111.376 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -90.53 157.13 17.69 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.484 0.313 . . . . 0.0 110.359 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 m -115.08 99.77 7.68 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.673 0.789 . . . . 0.0 109.67 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 81.3 t -104.13 130.6 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.026 1.33 . . . . 0.0 110.426 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -109.65 123.19 49.04 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.283 0.563 . . . . 0.0 111.068 174.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 57' ' ' LEU . 2.3 mm? -94.67 -21.83 18.54 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.827 1.251 . . . . 0.0 113.008 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.621 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 13.1 t -88.99 -15.55 33.9 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 119.239 0.927 . . . . 0.0 112.805 -167.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 118.241 -0.885 . . . . 0.0 109.533 -173.824 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.0 ttm . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -151.24 170.92 18.31 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.455 0.702 . . . . 0.0 111.284 174.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -165.31 179.44 6.23 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.672 -167.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.445 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 96.2 m-85 -100.21 124.6 45.84 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.453 1.101 . . . . 0.0 109.063 177.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -101.14 104.49 15.58 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.097 0.559 . . . . 0.0 110.203 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 14.4 mt -95.92 126.64 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.621 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 47.4 p90 -153.96 -174.37 4.93 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.125 0.488 . . . . 0.0 109.771 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -126.79 164.16 21.98 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 164.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.75 177.93 4.49 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -41.13 -38.95 1.15 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 127.03 2.132 . . . . 0.0 113.827 -174.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.58 7.66 4.32 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.436 0.694 . . . . 0.0 112.793 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.64 25.32 72.83 Favored Glycine 0 C--N 1.355 1.604 0 C-N-CA 124.022 0.82 . . . . 0.0 112.471 -174.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -100.72 112.77 25.24 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -66.64 125.36 25.56 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.601 ' HB3' ' HA ' ' B' ' 29' ' ' SER . 0.7 OUTLIER -140.46 137.28 33.78 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.715 176.393 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -107.27 161.36 14.86 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 120.998 0.427 . . . . 0.0 110.157 167.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.6 ' HG3' ' HE1' ' B' ' 7' ' ' TYR . 60.7 mtt180 -113.5 165.39 12.53 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.933 1.293 . . . . 0.0 108.463 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.547 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.8 t80 -125.25 127.28 46.48 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 157.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -98.45 -179.16 4.25 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.336 -171.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.15 158.46 39.62 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.601 -1.182 . . . . 0.0 108.43 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.1 m -46.47 -38.72 9.58 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 124.94 1.296 . . . . 0.0 114.479 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.416 HD21 ' HG2' ' B' ' 24' ' ' GLU . 1.4 p-10 -90.28 1.78 56.15 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 122.704 0.401 . . . . 0.0 111.791 -176.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.39 22.03 33.12 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 114.189 0.436 . . . . 0.0 114.189 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.416 ' HG2' HD21 ' B' ' 22' ' ' ASN . 50.8 mm-40 -83.0 154.51 24.43 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.71 0.404 . . . . 0.0 110.115 172.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 34.1 m -110.35 138.03 47.28 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 168.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.547 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.8 ppp? -114.88 -31.85 5.97 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.159 0.584 . . . . 0.0 111.079 -175.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.466 ' N ' ' SD ' ' B' ' 26' ' ' MET . 1.3 p90 -143.75 159.67 42.09 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.416 0.627 . . . . 0.0 109.523 165.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.425 ' HB3' ' HG2' ' B' ' 17' ' ' ARG . 71.5 p -170.3 -177.7 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 113.504 -1.68 . . . . 0.0 109.745 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.601 ' HA ' ' HB3' ' B' ' 15' ' ' ARG . 17.4 m 67.8 38.72 2.83 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.177 155.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.22 -32.72 67.0 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.653 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.61 51.94 47.4 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -70.86 -65.82 0.69 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 122.346 0.259 . . . . 0.0 110.371 -162.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -167.73 -71.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.593 0.357 . . . . 0.0 110.603 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.413 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -139.62 179.75 6.38 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.617 0.767 . . . . 0.0 109.597 -172.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -64.15 -51.42 63.96 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.317 0.647 . . . . 0.0 111.234 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.67 81.34 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.28 0.632 . . . . 0.0 110.964 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.413 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 13.6 m -66.95 -35.71 80.58 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.533 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.47 80.41 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.526 0.731 . . . . 0.0 110.692 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.51 -47.82 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.369 0.668 . . . . 0.0 111.33 174.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -58.34 -39.14 78.67 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 123.598 0.561 . . . . 0.0 111.288 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -58.88 -57.89 11.04 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.956 172.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.425 HG22 ' HD3' ' B' ' 46' ' ' LYS . 63.8 mt -56.39 -27.44 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.358 0.663 . . . . 0.0 111.653 178.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 41.8 mt-10 -64.21 -34.74 78.79 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 118.866 -0.587 . . . . 0.0 109.869 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 16.5 m -53.2 -40.16 64.23 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 124.06 0.85 . . . . 0.0 111.773 171.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.7 mm -67.45 -44.24 86.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -175.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.6 mmmm -62.81 -28.64 70.14 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.812 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 32.7 mmt180 -62.27 -53.38 55.98 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.924 0.765 . . . . 0.0 111.714 -174.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.464 ' ND2' ' SD ' ' A' ' 1' ' ' MET . 5.2 t30 -171.51 15.53 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -168.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.568 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 12.7 t -67.24 -35.77 80.24 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.328 -0.857 . . . . 0.0 113.016 -172.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.24 -27.63 69.13 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 122.582 0.353 . . . . 0.0 111.785 173.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.96 -3.76 55.76 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-O 119.606 -0.552 . . . . 0.0 113.871 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.41 165.05 15.0 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.714 0.806 . . . . 0.0 111.402 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.43 157.87 16.82 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 39.2 m -115.5 100.17 7.88 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.643 0.777 . . . . 0.0 109.417 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 87.2 t -104.18 130.72 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.801 1.241 . . . . 0.0 110.414 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -109.19 122.03 46.43 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.542 0.737 . . . . 0.0 110.755 174.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.414 HD22 ' N ' ' B' ' 57' ' ' LEU . 2.5 mm? -94.34 -21.71 18.81 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.892 1.277 . . . . 0.0 112.852 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.544 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 10.3 t -85.92 -4.43 59.16 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 118.412 0.551 . . . . 0.0 111.525 -170.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 47.0 p . . . . . 0 N--CA 1.495 1.815 0 C-N-CA 127.084 2.154 . . . . 0.0 115.083 -177.686 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.52 167.95 9.95 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.311 0.577 . . . . 0.0 111.681 171.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.403 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.7 OUTLIER -162.88 178.38 8.45 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.216 -170.782 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.429 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 91.2 m-85 -99.09 121.73 41.37 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 114.821 -1.082 . . . . 0.0 108.84 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -95.93 110.84 22.98 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mt -100.99 121.99 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.661 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 35.2 p90 -143.07 -178.42 5.83 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.122 0.486 . . . . 0.0 109.766 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.508 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 10.7 pt20 -121.84 150.0 42.55 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.21 -1.034 . . . . 0.0 108.21 166.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -84.06 161.02 20.83 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 177.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -52.93 -35.42 58.47 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.608 1.163 . . . . 0.0 111.829 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.17 6.37 0.56 Allowed 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 123.71 0.804 . . . . 0.0 113.011 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.451 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 72.42 17.5 77.76 Favored Glycine 0 C--N 1.349 1.277 0 C-N-CA 125.061 1.315 . . . . 0.0 113.195 -176.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 41.0 mt-10 -96.49 98.7 10.44 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -170.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 96.0 m-85 -51.19 114.47 1.21 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.701 0.8 . . . . 0.0 112.695 176.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 17.6 mmt180 -128.53 134.5 48.68 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 113.308 -1.769 . . . . 0.0 108.379 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -118.93 164.75 14.99 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.125 0.488 . . . . 0.0 109.917 170.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -142.21 170.73 15.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.398 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.518 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.6 t80 -124.79 135.02 52.59 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 173.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -101.47 -178.92 3.87 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.444 -173.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.78 154.95 47.46 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.012 -1.449 . . . . 0.0 107.85 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.6 p -47.75 -25.29 1.19 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -176.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -99.95 11.79 38.41 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.189 0.596 . . . . 0.0 111.658 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.44 16.79 72.83 Favored Glycine 0 N--CA 1.471 1.023 0 N-CA-C 114.616 0.606 . . . . 0.0 114.616 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -85.03 152.18 23.62 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.896 0.478 . . . . 0.0 110.228 175.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.5 m -108.39 147.1 32.05 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.439 0.696 . . . . 0.0 109.384 172.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.518 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 2.0 ppp? -122.02 -32.23 3.75 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.814 0.846 . . . . 0.0 112.058 -176.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.441 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 2.1 p90 -142.29 155.44 45.21 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 167.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.416 ' H ' ' HB3' ' B' ' 30' ' ' GLU . 49.2 m -154.24 176.88 11.75 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.67 1.188 . . . . 0.0 110.241 176.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.472 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 49.7 m 62.36 49.29 4.26 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 150.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HB3' ' H ' ' B' ' 28' ' ' SER . 0.0 OUTLIER -68.26 -42.75 79.19 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.195 170.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.37 53.9 36.04 Favored Glycine 0 C--N 1.354 1.574 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -75.07 -59.33 2.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.426 0.29 . . . . 0.0 110.225 -166.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -167.01 -65.04 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 120.838 0.351 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.04 179.15 8.73 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.574 0.75 . . . . 0.0 109.457 -171.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -43.45 75.39 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.729 0.412 . . . . 0.0 110.659 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.8 -42.31 79.28 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.336 0.589 . . . . 0.0 110.311 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 m -69.84 -29.22 66.43 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.788 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.86 63.5 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 123.633 0.773 . . . . 0.0 110.47 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -55.48 -50.7 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.255 0.622 . . . . 0.0 110.668 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -57.78 -39.85 78.43 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 123.633 0.583 . . . . 0.0 111.746 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -58.46 -57.34 13.39 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.736 172.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.91 -26.46 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.684 0.794 . . . . 0.0 111.959 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.56 -31.67 72.52 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 119.309 -0.377 . . . . 0.0 110.491 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 19.9 m -53.66 -39.56 65.17 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 123.52 0.512 . . . . 0.0 111.612 168.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.553 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.6 mm -71.02 -45.66 71.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.135 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.8 mmmm -59.06 -30.69 68.24 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.386 1.074 . . . . 0.0 112.254 -178.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -58.44 -69.42 0.19 Allowed 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.885 -1.507 . . . . 0.0 112.654 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -157.79 16.47 0.24 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -171.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.553 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 13.7 t -66.22 -32.62 74.15 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -172.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -60.66 -31.3 70.53 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.791 0.436 . . . . 0.0 111.944 171.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.28 -0.56 55.8 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-O 119.573 -0.57 . . . . 0.0 113.853 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.16 165.54 9.11 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.789 0.836 . . . . 0.0 111.453 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.569 ' HB2' ' HB3' ' B' ' 3' ' ' LYS . 6.2 m-20 -89.18 160.38 17.0 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.5 m -121.23 99.26 6.39 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 121.427 0.632 . . . . 0.0 109.837 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.6 t -100.43 127.07 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.061 1.344 . . . . 0.0 110.071 -175.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.401 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.6 t70 -108.09 122.5 47.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.563 0.745 . . . . 0.0 110.413 177.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -100.88 -14.09 18.09 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 124.823 1.249 . . . . 0.0 112.832 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.679 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.7 t -91.23 -10.06 42.97 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -170.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.488 1.44 0 CA-C-N 119.017 0.826 . . . . 0.0 111.861 -179.32 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.0 168.44 27.12 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.246 1.018 . . . . 0.0 109.465 175.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . 0.569 ' HB3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -164.37 178.52 7.42 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.979 -168.304 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.444 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 95.5 m-85 -98.68 120.8 39.73 Favored 'General case' 0 C--O 1.228 -0.06 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.829 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -95.09 110.6 22.51 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.401 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 24.3 mt -100.49 122.4 52.41 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.679 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 39.6 p90 -142.76 -178.42 5.79 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.144 0.497 . . . . 0.0 109.819 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' B' ' 14' ' ' TYR . 11.0 pt20 -121.83 150.24 42.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 165.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.617 ' HB2' ' HD2' ' B' ' 15' ' ' ARG . 29.6 t70 -84.2 161.28 20.6 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 124.232 1.013 . . . . 0.0 108.567 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -34.32 58.8 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.471 1.108 . . . . 0.0 112.157 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.59 6.42 0.64 Allowed 'General case' 0 CA--C 1.566 1.581 0 C-N-CA 124.168 0.987 . . . . 0.0 113.132 172.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . 0.497 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 72.23 17.49 77.46 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 124.82 1.2 . . . . 0.0 113.13 -176.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -96.7 99.0 10.62 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -170.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.519 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 93.2 m-85 -51.91 114.55 1.33 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.901 0.858 . . . . 0.0 112.753 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.617 ' HD2' ' HB2' ' B' ' 9' ' ' ASP . 93.7 mtt180 -129.69 134.34 47.59 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 113.314 -1.766 . . . . 0.0 109.283 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -118.59 164.17 15.72 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.483 0.658 . . . . 0.0 109.806 171.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -141.89 171.05 14.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.595 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.541 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.3 t80 -124.84 134.89 52.57 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 173.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -101.08 -179.2 3.97 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.372 -173.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.1 155.17 47.41 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.332 1.453 . . . . 0.0 107.77 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -48.24 -25.42 1.52 Allowed 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 -176.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -100.02 13.09 35.17 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.47 0.708 . . . . 0.0 112.447 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.44 16.72 75.31 Favored Glycine 0 N--CA 1.473 1.113 0 N-CA-C 114.324 0.49 . . . . 0.0 114.324 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -84.42 152.43 24.03 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.037 0.535 . . . . 0.0 110.479 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 53.2 m -108.8 147.47 32.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.502 0.721 . . . . 0.0 109.292 172.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.541 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.9 ppp? -122.45 -32.54 3.6 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.707 0.803 . . . . 0.0 111.721 -176.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.429 ' N ' ' SD ' ' B' ' 26' ' ' MET . 2.0 p90 -141.7 155.98 45.64 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 167.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.425 ' H ' ' HB3' ' A' ' 30' ' ' GLU . 66.9 p -155.32 176.76 12.16 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 124.685 1.241 . . . . 0.0 110.462 176.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.7 t 62.94 48.86 3.75 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 150.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -67.68 -42.53 81.95 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.23 170.613 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.85 53.42 37.83 Favored Glycine 0 C--N 1.354 1.537 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -176.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -74.94 -59.13 2.87 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.624 0.37 . . . . 0.0 110.308 -166.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -167.34 -65.03 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.784 0.434 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.64 178.58 9.45 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.625 0.77 . . . . 0.0 109.647 -171.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -70.09 -41.13 74.46 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 118.189 0.449 . . . . 0.0 111.073 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.44 81.67 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.108 0.48 . . . . 0.0 110.433 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 m -69.43 -29.34 67.03 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.877 177.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.11 -48.94 64.07 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 123.739 0.816 . . . . 0.0 110.485 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -55.65 -50.65 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.056 0.542 . . . . 0.0 110.938 173.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -58.05 -39.81 79.37 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 123.708 0.63 . . . . 0.0 111.241 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.31 -57.45 12.85 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.794 172.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.438 HG22 ' HD3' ' B' ' 46' ' ' LYS . 84.2 mt -56.75 -26.6 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.774 0.829 . . . . 0.0 111.837 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 39.5 mt-10 -66.22 -32.05 73.25 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-O 118.975 -0.536 . . . . 0.0 110.675 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 42.1 m -53.68 -39.37 65.07 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 123.943 0.777 . . . . 0.0 111.472 169.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.553 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.4 mm -70.95 -45.46 72.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.273 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.541 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.7 mmmm -59.99 -30.31 69.04 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.326 1.05 . . . . 0.0 111.69 -177.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 25.5 mmm180 -58.27 -70.29 0.15 Allowed 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 114.062 -1.427 . . . . 0.0 112.196 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -156.43 15.71 0.32 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 122.882 0.473 . . . . 0.0 111.931 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.553 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 12.4 t -66.5 -32.29 73.56 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -171.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -60.46 -31.54 70.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.885 0.474 . . . . 0.0 111.863 171.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.9 0.43 55.12 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-O 119.497 -0.613 . . . . 0.0 114.007 175.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.24 165.17 9.82 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.826 0.85 . . . . 0.0 111.336 176.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 13.2 t70 -89.58 161.02 16.38 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -121.07 99.08 6.29 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 121.242 0.544 . . . . 0.0 109.824 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 79.7 t -99.75 127.38 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.118 1.367 . . . . 0.0 110.183 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -108.15 122.2 46.41 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.465 0.706 . . . . 0.0 110.323 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -100.82 -16.45 17.28 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.698 1.199 . . . . 0.0 112.642 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.661 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.9 t -84.83 -14.8 46.9 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 118.624 0.647 . . . . 0.0 112.509 -170.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.47 HG23 HG23 ' B' ' 58' ' ' THR . 31.1 p . . . . . 0 N--CA 1.479 1.0 0 C-N-CA 122.832 0.453 . . . . 0.0 110.188 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttm . . . . . 0 N--CA 1.483 1.189 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.88 162.82 29.39 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.427 1.091 . . . . 0.0 109.517 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -162.77 175.28 11.45 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.789 -176.646 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -99.55 117.27 33.58 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.156 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -96.09 108.68 21.14 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.403 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 26.4 mt -99.72 122.82 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -176.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.605 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 50.1 p90 -138.45 -178.49 5.32 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 122.825 0.45 . . . . 0.0 109.959 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -127.05 152.74 46.87 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 167.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.568 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 27.3 t70 -100.23 179.81 4.36 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-O 118.591 -0.719 . . . . 0.0 109.632 -178.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -48.66 -36.8 16.8 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 125.639 1.576 . . . . 0.0 112.991 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.614 ' HB3' ' HG3' ' A' ' 13' ' ' GLU . . . -87.3 16.71 4.99 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.437 0.695 . . . . 0.0 111.224 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.26 21.71 77.31 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.442 -173.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.614 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 48.4 mt-10 -78.71 90.34 4.61 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.806 0.303 . . . . 0.0 110.643 -167.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -50.55 104.21 0.07 Allowed 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 122.639 1.209 . . . . 0.0 112.011 170.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -132.72 134.14 44.4 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 111.719 -2.491 . . . . 0.0 108.3 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -113.93 169.05 9.28 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.671 0.748 . . . . 0.0 109.95 171.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -142.04 169.54 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.175 -1.375 . . . . 0.0 110.109 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.435 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 23.1 t80 -126.84 140.89 52.02 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -95.68 -179.04 4.59 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.226 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.74 159.7 36.5 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.066 0.946 . . . . 0.0 108.682 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.3 m -55.37 -25.0 32.74 Favored 'General case' 0 CA--C 1.559 1.309 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -80.88 -12.82 59.35 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 123.325 0.65 . . . . 0.0 111.48 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.93 64.67 1.65 Allowed Glycine 0 C--N 1.341 0.853 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 -174.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -148.57 153.67 38.69 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.899 0.88 . . . . 0.0 109.066 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.9 m -89.85 136.12 33.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.413 0.625 . . . . 0.0 109.708 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.435 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.8 ppp? -115.92 -25.68 7.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 114.594 -1.184 . . . . 0.0 112.172 -174.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.414 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 2.0 p90 -147.8 160.79 42.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 167.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.441 ' H ' ' HB3' ' B' ' 30' ' ' GLU . 67.8 p -166.26 -178.74 4.7 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.954 1.409 . . . . 0.0 110.123 177.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.2 m 62.85 35.03 13.9 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.004 0.922 . . . . 0.0 113.06 154.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.46 ' HB3' ' H ' ' B' ' 28' ' ' SER . 0.0 OUTLIER -58.38 -42.04 86.15 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.954 165.838 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.2 53.1 42.32 Favored Glycine 0 C--N 1.359 1.815 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -72.84 -57.16 4.28 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.575 0.221 . . . . 0.0 111.33 -162.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -168.38 -75.56 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.646 0.379 . . . . 0.0 110.987 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.5 -177.91 6.24 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.9 0.88 . . . . 0.0 108.823 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' NZ ' HG23 ' B' ' 58' ' ' THR . 17.7 ttmm -62.97 -46.27 88.5 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.162 0.892 . . . . 0.0 111.479 -175.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.4 -44.92 72.76 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.543 0.737 . . . . 0.0 110.972 177.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.2 m -72.52 -25.85 61.54 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.388 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.25 -54.5 17.19 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 123.292 0.637 . . . . 0.0 109.834 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.82 -48.39 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.682 0.793 . . . . 0.0 110.758 172.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -59.23 -42.0 90.02 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.344 0.658 . . . . 0.0 111.816 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -59.67 -53.14 61.43 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.412 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 90.6 mt -56.59 -28.46 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 C-N-CA 123.449 0.7 . . . . 0.0 111.675 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 10.4 mm-40 -64.79 -32.34 73.98 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 118.928 -0.558 . . . . 0.0 110.763 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 7.6 m -53.73 -40.46 66.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 123.698 0.624 . . . . 0.0 111.276 169.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.471 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 2.9 mm -70.95 -46.5 67.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -175.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.501 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.5 mmmm -60.45 -21.66 62.57 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.302 1.041 . . . . 0.0 113.327 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 39.4 mmt-85 -60.84 -71.78 0.13 Allowed 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.195 0.934 . . . . 0.0 111.408 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -162.67 22.59 0.1 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.316 0.646 . . . . 0.0 109.635 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.471 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 27.1 t -61.87 -27.94 69.15 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -173.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -61.57 -32.17 72.25 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 122.514 0.326 . . . . 0.0 111.479 170.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 2.63 58.25 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.626 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.45 178.37 0.56 Allowed 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.774 0.787 . . . . 0.0 111.876 174.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -107.17 157.33 17.95 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.929 0.492 . . . . 0.0 109.724 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 m -119.66 110.63 17.07 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.391 0.676 . . . . 0.0 109.903 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -110.09 130.84 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.002 1.321 . . . . 0.0 110.1 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 11.7 t70 -107.82 112.74 25.53 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 122.805 0.442 . . . . 0.0 110.449 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.29 -22.19 28.68 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.025 1.33 . . . . 0.0 112.47 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.644 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 11.6 t -92.54 8.84 37.08 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.015 0.436 . . . . 0.0 112.171 -171.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.475 0.776 0 C-N-CA 122.968 0.507 . . . . 0.0 110.056 169.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.45 ' O ' ' HA ' ' B' ' 21' ' ' SER . 42.1 ttm . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.33 171.32 7.93 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.422 1.089 . . . . 0.0 110.112 -179.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.68 176.1 7.44 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.339 0.656 . . . . 0.0 111.232 -178.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -99.59 117.39 33.86 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.3 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -95.93 107.9 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.423 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 29.9 mt -99.49 123.04 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -176.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.644 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 44.6 p90 -138.79 -179.2 5.68 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 122.859 0.464 . . . . 0.0 109.978 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.528 HE21 ' HA2' ' B' ' 12' ' ' GLY . 13.9 pt20 -126.7 152.19 47.12 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 167.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -100.36 -179.36 4.09 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.724 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -36.52 14.14 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 125.443 1.497 . . . . 0.0 113.462 -175.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.655 ' HB3' ' HG3' ' B' ' 13' ' ' GLU . . . -89.15 17.45 5.92 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.849 -177.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . 0.528 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 69.66 22.46 76.73 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.654 -173.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.655 ' HG3' ' HB3' ' B' ' 11' ' ' ALA . 42.2 mt-10 -78.78 93.12 4.91 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.422 0.289 . . . . 0.0 110.663 -167.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -54.63 105.09 0.13 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 122.489 1.138 . . . . 0.0 112.024 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -132.85 134.13 44.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 112.142 -2.299 . . . . 0.0 108.226 -176.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -113.96 168.82 9.48 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-O 121.657 0.742 . . . . 0.0 110.048 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -141.37 169.77 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.098 -1.41 . . . . 0.0 110.093 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.458 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 24.0 t80 -126.9 140.76 52.1 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 173.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -95.53 -179.42 4.75 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.284 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.78 159.78 36.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.899 0.88 . . . . 0.0 108.678 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' B' ' 1' ' ' MET . 19.1 m -55.47 -24.66 32.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -81.91 -11.52 58.86 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.037 0.535 . . . . 0.0 111.747 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.51 65.31 1.68 Allowed Glycine 0 C--N 1.342 0.869 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.943 -174.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -146.46 155.58 42.65 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 172.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.9 m -90.75 136.77 32.85 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.367 0.603 . . . . 0.0 109.757 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.458 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.8 ppp? -116.24 -26.24 7.27 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.061 -174.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.404 ' HD2' ' SD ' ' B' ' 26' ' ' MET . 1.8 p90 -147.18 160.9 41.9 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 167.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' A' ' 30' ' ' GLU . 88.5 p -165.85 -177.96 4.53 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.918 1.386 . . . . 0.0 110.127 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 91.5 p 62.21 35.06 15.69 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.176 0.991 . . . . 0.0 113.125 153.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.441 ' HB3' ' H ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -58.9 -41.65 87.74 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.935 166.147 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.33 53.38 39.83 Favored Glycine 0 C--N 1.359 1.861 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -73.21 -56.66 4.79 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 122.147 0.179 . . . . 0.0 111.33 -162.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -168.85 -75.31 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.653 0.381 . . . . 0.0 110.918 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.07 -177.76 6.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.047 0.939 . . . . 0.0 108.968 -175.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -45.11 93.5 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.209 0.913 . . . . 0.0 111.416 -175.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.55 81.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.208 0.603 . . . . 0.0 110.638 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 51.0 m -71.62 -26.2 62.47 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.439 0.695 . . . . 0.0 111.518 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.25 -54.75 15.47 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.144 0.578 . . . . 0.0 109.773 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.47 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.2 mp -53.07 -48.67 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.766 0.826 . . . . 0.0 110.745 172.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -60.2 -41.08 92.24 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.416 0.686 . . . . 0.0 112.127 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.411 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -59.83 -53.42 58.19 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.406 HG22 ' HD3' ' B' ' 46' ' ' LYS . 89.6 mt -56.04 -28.39 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 123.416 0.686 . . . . 0.0 111.743 176.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 50.1 mt-10 -65.62 -31.79 73.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 119.456 -0.307 . . . . 0.0 110.502 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 32.0 m -54.06 -40.1 66.84 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 120.947 0.403 . . . . 0.0 111.06 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.471 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 2.6 mm -71.1 -46.46 66.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.736 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.0 mmmm -61.56 -20.89 63.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.081 0.952 . . . . 0.0 112.885 -176.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 15.8 mmm180 -60.38 -72.17 0.12 Allowed 'General case' 0 CA--C 1.549 0.941 0 O-C-N 124.142 0.901 . . . . 0.0 111.393 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -162.85 22.94 0.09 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.628 0.771 . . . . 0.0 109.413 -174.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.471 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.1 t -61.5 -28.16 69.11 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -174.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -61.18 -32.52 72.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.668 0.387 . . . . 0.0 111.431 170.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.87 2.65 58.44 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 113.723 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.34 178.01 0.59 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.629 0.771 . . . . 0.0 111.988 174.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.458 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 37.2 t70 -106.77 157.14 17.96 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.751 0.42 . . . . 0.0 110.013 177.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -119.09 110.59 17.25 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.236 0.614 . . . . 0.0 109.89 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -110.09 131.04 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 124.809 1.244 . . . . 0.0 110.29 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 18.6 t70 -107.4 112.18 24.86 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.223 0.609 . . . . 0.0 110.517 176.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 48.2 mt -85.19 -24.4 27.91 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.744 1.218 . . . . 0.0 113.134 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.605 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 7.3 t -83.5 7.87 15.73 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 118.393 0.542 . . . . 0.0 112.212 -169.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.559 1.291 0 C-N-CA 123.243 0.617 . . . . 0.0 111.314 174.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -67.4 151.57 47.19 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 123.117 0.567 . . . . 0.0 110.655 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.92 176.43 10.18 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.35 -161.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.433 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 74.4 m-85 -103.1 113.68 27.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.678 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -95.45 109.29 21.5 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -98.86 117.55 44.1 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.545 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.6 p90 -135.93 179.35 6.4 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.56 0.695 . . . . 0.0 109.489 178.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -123.44 147.17 47.41 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 165.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.61 161.72 23.38 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 124.505 1.122 . . . . 0.0 108.175 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -34.8 39.12 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 124.496 1.122 . . . . 0.0 111.733 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.46 5.74 0.54 Allowed 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.515 1.126 . . . . 0.0 113.34 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.54 28.56 73.12 Favored Glycine 0 C--N 1.351 1.373 0 C-N-CA 124.312 0.958 . . . . 0.0 112.592 -176.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -110.03 109.27 19.78 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.025 0.53 . . . . 0.0 110.793 -171.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.445 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 89.9 m-85 -59.17 119.52 7.49 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.81 136.41 38.8 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.023 1.329 . . . . 0.0 107.779 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -122.1 173.41 7.58 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-O 121.022 0.439 . . . . 0.0 109.834 168.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -144.34 169.61 17.59 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.24 -1.345 . . . . 0.0 110.499 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.436 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 18.0 t80 -122.14 134.36 54.74 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 168.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -100.24 -179.27 4.08 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.868 -172.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.633 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -126.64 177.95 6.21 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 171.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 p -71.99 -26.98 62.46 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 118.451 0.568 . . . . 0.0 111.008 -160.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -102.54 7.59 40.08 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.614 0.366 . . . . 0.0 111.643 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.27 17.97 20.72 Favored Glycine 0 C--N 1.349 1.299 0 N-CA-C 114.894 0.718 . . . . 0.0 114.894 175.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.633 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 15.5 mp0 -78.64 156.0 29.27 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 m -121.42 135.33 55.07 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 171.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -113.25 -18.23 12.14 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.472 -0.785 . . . . 0.0 112.0 -175.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.625 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 0.1 OUTLIER -164.46 167.37 19.59 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 162.374 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 p -174.3 -175.81 1.03 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.979 1.424 . . . . 0.0 111.679 -168.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.7 m 89.43 5.53 0.14 Allowed 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 156.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.752 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 8.2 tp10 -97.0 -84.36 0.37 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.445 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 92.13 -12.36 69.79 Favored Glycine 0 C--N 1.354 1.544 0 CA-C-O 120.055 -0.303 . . . . 0.0 112.704 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.752 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 15.2 t80 75.65 -65.98 0.3 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.394 1.877 . . . . 0.0 111.32 175.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -154.21 -61.35 0.13 Allowed 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.255 0.55 . . . . 0.0 109.89 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.45 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -139.43 -174.78 3.97 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.934 1.294 . . . . 0.0 108.753 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -68.09 -50.09 57.14 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 118.71 0.686 . . . . 0.0 110.142 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.04 -46.7 71.98 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.075 0.55 . . . . 0.0 110.797 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.45 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 4.9 m -65.89 -28.8 69.22 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.379 177.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.41 -46.78 72.22 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.398 0.679 . . . . 0.0 110.693 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.4 mp -55.54 -48.56 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-O 119.354 -0.355 . . . . 0.0 110.839 172.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -57.67 -39.48 77.19 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.165 0.586 . . . . 0.0 111.132 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.43 -53.72 55.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.939 172.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.459 ' O ' ' HD2' ' A' ' 46' ' ' LYS . 58.4 mt -59.43 -26.95 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.234 0.614 . . . . 0.0 111.99 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 44.8 mt-10 -67.0 -31.79 72.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 119.415 -0.326 . . . . 0.0 110.128 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.1 m -55.78 -37.59 68.76 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 123.669 0.606 . . . . 0.0 111.52 171.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.51 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.7 mm -69.67 -43.36 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.557 -175.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -59.1 -24.97 63.41 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.211 1.004 . . . . 0.0 112.95 179.028 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -64.99 -52.88 53.74 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.168 0.587 . . . . 0.0 111.998 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -176.89 16.65 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 123.632 0.582 . . . . 0.0 111.896 -170.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.9 t -65.8 -31.82 73.0 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.279 -0.888 . . . . 0.0 112.48 -173.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.21 71.31 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.175 0.297 . . . . 0.0 111.687 170.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.26 3.43 64.03 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-O 119.427 -0.652 . . . . 0.0 114.127 176.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.69 164.73 13.88 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.374 0.669 . . . . 0.0 111.608 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -89.37 156.52 18.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.0 m -110.31 98.13 7.43 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 174.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.1 t -97.19 127.35 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.876 0.87 . . . . 0.0 109.596 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -108.8 111.44 23.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.056 0.542 . . . . 0.0 110.438 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 57' ' ' LEU . 1.9 mm? -93.47 -15.84 25.14 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.849 1.26 . . . . 0.0 112.044 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.589 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 6.7 t -86.73 8.18 23.66 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.147 0.498 . . . . 0.0 112.269 -175.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.549 0.933 0 C-N-CA 122.735 0.414 . . . . 0.0 110.073 166.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttp . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.069 0.461 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -69.11 160.32 31.27 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.118 170.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.1 176.08 7.96 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.04 -166.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.439 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 76.5 m-85 -103.15 113.5 27.03 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.267 1.027 . . . . 0.0 109.556 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -95.69 109.04 21.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.088 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.7 mt -98.23 118.05 44.11 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 -175.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.589 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 43.1 p90 -136.23 179.64 6.23 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.429 0.633 . . . . 0.0 109.296 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.436 HE21 ' HA2' ' B' ' 12' ' ' GLY . 9.4 pt20 -123.93 147.4 47.74 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 165.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -81.55 161.24 23.64 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -50.99 -35.43 33.79 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.878 1.271 . . . . 0.0 111.295 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.89 6.34 0.52 Allowed 'General case' 0 CA--C 1.567 1.625 0 C-N-CA 124.159 0.984 . . . . 0.0 113.157 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . 0.436 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 68.68 28.29 73.24 Favored Glycine 0 C--N 1.349 1.294 0 C-N-CA 124.597 1.094 . . . . 0.0 112.911 -176.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -109.83 118.7 37.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.664 0.386 . . . . 0.0 110.326 -170.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.443 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 85.7 m-85 -73.77 121.11 20.31 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -172.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' B' ' 14' ' ' TYR . 29.1 mmt180 -136.25 135.84 39.36 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -122.11 173.66 7.42 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 168.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -145.0 170.48 16.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 114.403 -1.272 . . . . 0.0 111.183 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.439 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.5 t80 -122.54 133.95 54.56 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 170.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -99.87 -178.64 3.92 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.983 -171.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.619 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -127.9 165.21 20.64 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.982 1.313 . . . . 0.0 107.828 172.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -51.31 -33.43 29.0 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -172.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -101.61 6.49 42.1 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 118.104 0.411 . . . . 0.0 111.991 -176.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.19 17.99 18.54 Favored Glycine 0 C--N 1.349 1.29 0 N-CA-C 114.802 0.681 . . . . 0.0 114.802 176.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.619 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 9.0 mp0 -79.05 155.84 28.63 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 117.252 0.526 . . . . 0.0 109.747 176.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 89.0 m -120.85 135.92 55.05 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.446 ' HB2' ' HE2' ' B' ' 26' ' ' MET . 1.5 ppp? -114.0 -18.45 11.72 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.847 -175.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.4 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -163.79 167.11 21.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 161.776 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -173.59 -176.61 1.3 Allowed 'General case' 0 CA--C 1.541 0.62 0 O-C-N 125.257 1.598 . . . . 0.0 110.674 -168.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m 90.6 7.85 0.08 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 155.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.625 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -98.67 -85.44 0.38 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.085 0.554 . . . . 0.0 109.925 176.603 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 91.57 -10.74 73.99 Favored Glycine 0 C--N 1.346 1.108 0 C-N-CA 123.715 0.674 . . . . 0.0 112.515 -176.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 20.5 t80 74.24 -66.81 0.28 Allowed 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.166 1.786 . . . . 0.0 111.473 176.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -153.12 -61.21 0.14 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.106 0.479 . . . . 0.0 110.439 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.498 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -139.03 -174.73 3.93 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.773 1.229 . . . . 0.0 108.513 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -68.14 -50.18 56.26 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 118.664 0.666 . . . . 0.0 110.299 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.95 -46.92 71.73 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.234 0.614 . . . . 0.0 110.581 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.498 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 10.3 m -65.68 -28.8 69.34 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.274 178.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.41 72.03 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.405 0.682 . . . . 0.0 110.511 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.37 -48.4 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-O 119.298 -0.382 . . . . 0.0 110.803 172.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -57.16 -39.6 75.56 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.046 0.538 . . . . 0.0 111.131 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -58.49 -53.22 60.74 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.936 173.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.49 ' O ' ' HD2' ' B' ' 46' ' ' LYS . 61.5 mt -59.94 -26.78 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.139 0.576 . . . . 0.0 111.789 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 48.7 mt-10 -67.19 -31.57 72.06 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 39.6 m -56.28 -36.99 69.25 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.562 0.539 . . . . 0.0 111.353 171.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.514 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.2 mm -69.96 -43.63 79.23 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.519 -175.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' B' ' 42' ' ' ILE . 0.5 OUTLIER -58.29 -26.28 62.81 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.451 1.1 . . . . 0.0 112.849 178.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 99.2 mtt180 -63.47 -54.09 41.9 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.406 0.682 . . . . 0.0 112.529 -174.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -176.08 17.23 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 123.622 0.576 . . . . 0.0 111.621 -171.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.3 t -65.72 -31.71 72.85 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.462 -0.774 . . . . 0.0 112.383 -173.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.31 -33.55 71.24 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.57 0.348 . . . . 0.0 111.72 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.07 3.39 64.45 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.413 -0.66 . . . . 0.0 114.101 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.59 164.66 13.78 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 117.58 0.69 . . . . 0.0 111.502 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -88.84 156.86 18.69 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 41.5 m -110.7 98.06 7.32 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 44.8 t -96.46 127.57 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.024 0.93 . . . . 0.0 109.441 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -109.41 111.2 22.6 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.142 0.496 . . . . 0.0 110.293 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -93.25 -14.25 27.27 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.851 1.261 . . . . 0.0 112.157 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.545 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 5.8 t -88.81 5.9 41.45 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 118.771 0.714 . . . . 0.0 111.398 -175.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 166.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.97 149.34 49.95 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.501 0.667 . . . . 0.0 110.919 173.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.45 173.76 11.75 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.637 -170.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -99.28 110.12 22.68 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.13 0.972 . . . . 0.0 109.125 -176.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -93.81 109.8 21.48 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.5 mt -97.36 113.21 31.18 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.658 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 40.9 p90 -131.65 178.78 6.49 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.488 HE21 ' HA2' ' A' ' 12' ' ' GLY . 8.8 pt20 -119.7 142.93 48.05 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 162.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.506 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 33.1 t70 -80.13 162.07 24.94 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.442 1.097 . . . . 0.0 109.173 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -35.17 25.33 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.621 1.568 . . . . 0.0 112.763 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.33 5.57 2.82 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.377 1.071 . . . . 0.0 112.601 174.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.488 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 69.53 36.72 77.36 Favored Glycine 0 C--N 1.344 0.989 0 C-N-CA 124.134 0.873 . . . . 0.0 113.095 -176.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -109.49 123.75 49.91 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.502 0.321 . . . . 0.0 111.155 -173.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -83.12 110.21 17.83 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 95.5 mtt180 -133.43 135.73 44.77 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.652 1.181 . . . . 0.0 110.171 -169.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -112.64 144.64 41.79 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 170.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -120.53 166.38 13.69 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.744 0.818 . . . . 0.0 108.857 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.577 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 21.4 t80 -124.9 136.75 54.07 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 175.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -97.63 -177.82 3.92 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.384 -172.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -122.48 -151.24 0.47 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.583 1.153 . . . . 0.0 108.402 175.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -93.12 -27.36 16.98 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.762 0.71 . . . . 0.0 110.613 -167.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -103.72 15.26 29.23 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.057 0.943 . . . . 0.0 111.507 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.72 21.08 72.69 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 116.514 -0.312 . . . . 0.0 113.26 -173.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.568 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 53.3 mm-40 -75.94 149.64 37.65 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -110.22 136.32 49.61 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 118.632 0.651 . . . . 0.0 109.843 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.577 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.9 ppp? -113.5 -28.34 7.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.994 0.918 . . . . 0.0 112.023 -173.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.494 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 3.2 p90 -147.41 165.06 31.37 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.733 0.778 . . . . 0.0 110.759 165.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.6 t -142.0 145.56 34.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 112.837 -1.983 . . . . 0.0 105.881 168.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 t -78.26 157.28 29.31 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.8 -22.08 62.4 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.015 0.526 . . . . 0.0 110.537 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.54 42.07 0.76 Allowed Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.425 -0.807 . . . . 0.0 114.246 172.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.6 t80 4.75 -67.36 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 128.037 2.535 . . . . 0.0 116.784 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -166.23 -69.97 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.555 0.342 . . . . 0.0 111.428 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.07 177.29 10.65 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.176 0.591 . . . . 0.0 110.632 -168.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' HE2' HD11 ' A' ' 39' ' ' ILE . 20.7 tptm -65.48 -49.49 68.85 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.781 0.832 . . . . 0.0 111.446 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.78 76.32 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.075 0.464 . . . . 0.0 111.298 174.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.2 m -66.51 -25.5 66.71 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.35 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.78 -51.67 46.2 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 123.579 0.549 . . . . 0.0 110.401 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.492 HD11 ' HE2' ' A' ' 35' ' ' LYS . 2.3 mp -56.14 -50.27 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 122.889 0.476 . . . . 0.0 111.231 176.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -58.0 -39.09 77.4 Favored 'General case' 0 C--O 1.254 1.324 0 O-C-N 123.595 0.559 . . . . 0.0 111.118 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -59.97 -56.31 23.24 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.049 171.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.439 HD13 HG23 ' B' ' 54' ' ' THR . 74.4 mt -57.51 -26.54 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.416 0.686 . . . . 0.0 111.859 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 45.5 mt-10 -67.1 -33.65 75.94 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 119.338 -0.363 . . . . 0.0 110.192 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 22.2 m -54.55 -39.8 68.07 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 123.773 0.67 . . . . 0.0 111.862 169.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.498 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.1 mm -68.81 -41.63 82.35 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.51 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 9.5 mmmm -62.79 -26.34 68.67 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.814 0.845 . . . . 0.0 112.787 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 26.2 mmm180 -62.72 -56.09 20.79 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.482 -174.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -175.08 20.35 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 122.865 0.466 . . . . 0.0 111.331 -172.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.498 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 25.3 t -62.51 -32.7 73.66 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -175.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -64.7 -19.25 65.64 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 173.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.87 -4.0 42.32 Favored Glycine 0 N--CA 1.477 1.393 0 CA-C-O 119.756 -0.469 . . . . 0.0 113.787 171.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.27 137.27 48.44 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.902 0.881 . . . . 0.0 111.515 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.17 158.05 29.72 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.163 0.585 . . . . 0.0 111.172 -177.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.443 HG23 HD13 ' B' ' 42' ' ' ILE . 55.6 m -111.49 97.66 6.9 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 121.475 0.655 . . . . 0.0 109.566 177.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.4 t -94.67 131.05 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.924 1.29 . . . . 0.0 110.593 -176.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -107.0 128.76 54.64 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.664 0.786 . . . . 0.0 111.423 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -100.93 -34.04 9.95 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.999 0.919 . . . . 0.0 112.229 170.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.652 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.6 t -78.05 -21.93 49.89 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -159.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.448 HG23 HG23 ' A' ' 58' ' ' THR . 72.8 p . . . . . 0 N--CA 1.488 1.47 0 CA-C-N 118.239 0.472 . . . . 0.0 110.955 -176.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.09 157.25 22.66 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.617 0.767 . . . . 0.0 111.702 170.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.53 173.76 10.62 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.02 -171.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.524 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 94.6 m-85 -98.92 110.05 22.72 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.389 1.076 . . . . 0.0 109.493 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -93.6 110.07 21.68 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 25.5 mt -97.61 113.61 32.58 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.652 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 30.4 p90 -132.37 178.7 6.62 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.425 HE21 ' HA2' ' B' ' 12' ' ' GLY . 8.2 pt20 -119.38 142.84 47.82 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 162.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -79.96 162.1 25.12 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.422 1.089 . . . . 0.0 109.037 -177.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -50.71 -35.8 33.0 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.485 1.514 . . . . 0.0 112.194 178.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.32 5.79 2.07 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 124.042 0.937 . . . . 0.0 112.57 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . 0.425 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 69.8 36.49 74.66 Favored Glycine 0 C--N 1.346 1.114 0 C-N-CA 124.288 0.947 . . . . 0.0 112.841 -177.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -110.11 124.0 50.74 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.367 0.267 . . . . 0.0 110.664 -172.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -83.18 111.42 18.91 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -172.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -133.97 134.75 42.9 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.872 1.269 . . . . 0.0 109.946 -169.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -111.78 144.64 40.75 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 169.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -120.32 166.33 13.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.081 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.566 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 20.1 t80 -124.78 136.6 53.99 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 175.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -97.62 -177.82 3.92 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.369 -172.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -122.24 -151.61 0.48 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.668 1.187 . . . . 0.0 108.374 175.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 17.6 p -92.79 -27.44 17.19 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.455 0.57 . . . . 0.0 110.855 -168.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -103.26 15.18 29.88 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.085 0.954 . . . . 0.0 111.366 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.19 22.03 71.97 Favored Glycine 0 C--N 1.345 1.069 0 CA-C-O 120.151 -0.249 . . . . 0.0 113.134 -173.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 8.7 mm-40 -76.5 149.82 36.7 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 173.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 38.6 m -110.18 136.35 49.53 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.738 0.699 . . . . 0.0 109.635 174.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.566 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 2.0 ppp? -113.96 -27.55 7.69 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.045 0.938 . . . . 0.0 112.067 -173.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.508 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 4.5 p90 -148.16 165.11 31.88 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 121.636 0.731 . . . . 0.0 110.728 164.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.0 t -141.47 146.18 36.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 168.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 37.3 t -78.43 157.88 28.85 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -71.2 -22.59 62.0 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 122.947 0.499 . . . . 0.0 110.113 171.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.13 42.09 0.79 Allowed Glycine 0 C--N 1.349 1.274 0 CA-C-N 115.349 -0.842 . . . . 0.0 114.29 172.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.438 ' CE2' ' HB2' ' B' ' 38' ' ' ALA . 3.0 p90 7.14 -67.45 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 128.035 2.534 . . . . 0.0 116.807 171.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -168.04 -70.37 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.036 0.534 . . . . 0.0 111.302 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.07 177.32 10.93 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 122.919 0.488 . . . . 0.0 110.816 -168.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -65.75 -49.21 69.22 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.8 0.84 . . . . 0.0 111.29 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.11 -43.14 77.84 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.911 0.484 . . . . 0.0 111.262 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 18.5 m -66.85 -24.79 66.18 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.29 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' B' ' 32' ' ' TYR . . . -67.08 -53.09 34.21 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.277 0.631 . . . . 0.0 110.654 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.92 -49.28 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 123.669 0.606 . . . . 0.0 111.074 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -57.93 -39.29 77.65 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 123.781 0.676 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -60.24 -56.16 24.96 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.939 172.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.443 HD13 HG23 ' A' ' 54' ' ' THR . 64.7 mt -57.8 -26.67 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.295 0.638 . . . . 0.0 111.595 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 41.3 mt-10 -66.4 -34.14 77.29 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.6 0.36 . . . . 0.0 110.1 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 21.7 m -54.32 -40.05 67.61 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.831 0.707 . . . . 0.0 111.623 169.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.524 HG21 ' HZ ' ' B' ' 4' ' ' PHE . 3.0 mm -68.77 -41.52 82.44 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -175.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.2 mmmm -63.34 -25.6 68.37 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.692 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 25.3 mmt180 -62.69 -56.6 16.2 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 124.093 0.871 . . . . 0.0 112.411 -174.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -174.51 20.43 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 123.441 0.463 . . . . 0.0 111.436 -172.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.1 t -62.18 -33.11 73.91 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.276 0.63 . . . . 0.0 112.556 -175.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.51 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.29 -19.22 65.26 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 173.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.75 -3.55 39.89 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 123.194 0.426 . . . . 0.0 113.71 172.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.51 137.22 47.97 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.69 0.796 . . . . 0.0 111.721 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.35 158.22 29.76 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.813 0.445 . . . . 0.0 111.533 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.439 HG23 HD13 ' A' ' 42' ' ' ILE . 25.7 m -111.11 97.39 6.77 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.262 0.553 . . . . 0.0 109.673 177.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 92.8 t -94.19 130.44 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.999 1.32 . . . . 0.0 110.733 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.85 128.63 53.88 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.822 0.849 . . . . 0.0 111.499 173.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -101.09 -34.52 9.69 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.939 0.896 . . . . 0.0 112.24 169.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.658 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.4 t -76.45 -15.11 59.99 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -159.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 65.9 p . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.526 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 ttm . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -171.84 162.5 6.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.574 1.15 . . . . 0.0 110.175 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -166.0 -179.54 5.25 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.177 -175.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.479 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 83.0 m-85 -99.85 113.3 25.73 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.382 1.073 . . . . 0.0 109.743 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.65 112.49 24.23 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.5 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 26.0 mt -99.39 114.33 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -174.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.611 ' HE1' ' HG3' ' A' ' 17' ' ' ARG . 27.2 p90 -134.22 168.62 18.53 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.439 ' HG2' HG21 ' B' ' 61' ' ' THR . 0.9 OUTLIER -111.34 142.45 43.56 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 169.764 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.47 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 36.0 t70 -77.93 163.61 25.85 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 123.667 0.787 . . . . 0.0 109.581 177.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -48.04 -33.17 7.62 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 125.132 1.373 . . . . 0.0 112.493 176.179 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.414 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -73.38 7.53 2.23 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 124.771 1.228 . . . . 0.0 112.468 176.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.46 22.67 77.8 Favored Glycine 0 C--N 1.346 1.107 0 C-N-CA 123.565 0.603 . . . . 0.0 112.671 -173.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 34.6 mt-10 -94.21 94.86 8.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.65 0.38 . . . . 0.0 111.518 -170.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.481 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 95.7 m-85 -53.76 131.32 39.24 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.49 171.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.19 170.44 22.27 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 125.153 1.533 . . . . 0.0 109.727 -172.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -145.76 138.82 26.02 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.622 ' HD2' HG21 ' A' ' 25' ' ' THR . 23.0 mtm180 -107.29 165.01 11.7 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.66 0.784 . . . . 0.0 109.029 173.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.564 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 21.6 t80 -127.16 142.24 51.55 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 173.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -98.91 -177.5 3.66 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.293 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.435 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . . . -134.42 161.08 36.01 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.805 1.242 . . . . 0.0 108.322 175.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 p -54.61 -28.43 46.57 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.345 1.058 . . . . 0.0 113.367 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -86.06 16.75 4.0 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.437 0.695 . . . . 0.0 111.174 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.48 49.98 68.83 Favored Glycine 0 C--N 1.354 1.547 0 C-N-CA 123.585 0.612 . . . . 0.0 113.604 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' HG3' ' HB3' ' A' ' 20' ' ' ALA . 6.9 pt-20 -140.09 138.92 35.71 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.151 0.58 . . . . 0.0 109.897 -175.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.622 HG21 ' HD2' ' A' ' 17' ' ' ARG . 54.4 m -78.42 141.97 37.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.293 0.637 . . . . 0.0 109.957 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.564 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.3 ppp? -120.29 -21.46 6.92 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.031 0.932 . . . . 0.0 111.665 -176.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.563 ' HE2' ' HB2' ' A' ' 29' ' ' SER . 3.3 p90 -152.22 161.89 41.95 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.497 0.665 . . . . 0.0 111.165 167.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.4 t -130.93 141.91 50.32 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 113.263 -1.789 . . . . 0.0 107.12 166.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.563 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 43.0 t -102.61 175.11 5.61 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.344 0.592 . . . . 0.0 110.405 -173.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.543 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 10.2 pt-20 -79.75 -16.1 56.24 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.471 169.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.481 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 74.57 -2.05 49.16 Favored Glycine 0 C--N 1.363 2.041 0 N-CA-C 115.597 0.999 . . . . 0.0 115.597 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.543 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 3.0 t80 82.79 -53.55 0.19 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.995 1.718 . . . . 0.0 111.624 169.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -165.88 -57.45 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.332 0.653 . . . . 0.0 111.128 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.52 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -146.1 -171.78 3.79 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.817 0.847 . . . . 0.0 109.314 -169.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.519 ' NZ ' HG23 ' B' ' 58' ' ' THR . 22.6 ttmm -65.27 -49.68 68.66 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.23 0.468 . . . . 0.0 110.763 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.48 -39.4 73.18 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.285 0.634 . . . . 0.0 111.193 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.52 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.6 m -72.5 -30.32 64.4 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.997 177.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.09 -54.72 18.74 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.799 0.84 . . . . 0.0 110.511 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.418 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 2.1 mp -57.39 -47.97 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 123.385 0.674 . . . . 0.0 110.712 175.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -57.21 -38.6 73.97 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.217 0.607 . . . . 0.0 111.531 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.47 -53.36 57.43 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.441 ' HA ' HG12 ' A' ' 45' ' ' ILE . 72.7 mt -58.57 -27.59 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 122.814 0.446 . . . . 0.0 111.529 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 56.7 mm-40 -62.63 -39.54 94.15 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.989 0.515 . . . . 0.0 110.117 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.3 m -54.39 -38.72 66.49 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 123.849 0.718 . . . . 0.0 112.112 172.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.492 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.1 mm -69.31 -40.58 80.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -175.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.535 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.5 mmmm -62.74 -21.79 66.06 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -177.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 38.0 mmt-85 -72.32 -60.28 2.31 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.846 -172.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -163.64 17.25 0.07 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 122.75 0.42 . . . . 0.0 110.981 -170.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 22.8 t -64.47 -32.15 73.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.694 -0.629 . . . . 0.0 112.423 -175.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.39 -23.05 67.24 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.965 172.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.32 -7.97 36.53 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-O 119.489 -0.617 . . . . 0.0 113.811 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.52 151.68 36.83 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.796 0.838 . . . . 0.0 111.545 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -76.37 159.33 30.6 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.161 0.505 . . . . 0.0 110.444 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -119.63 99.36 6.61 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.105 0.562 . . . . 0.0 109.647 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.16 126.08 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.56 1.144 . . . . 0.0 109.373 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.565 ' CG ' ' HZ1' ' B' ' 35' ' ' LYS . 12.4 t70 -99.18 111.14 23.59 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.065 0.546 . . . . 0.0 110.393 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.9 mt -78.78 -30.77 45.76 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.866 0.867 . . . . 0.0 112.441 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.69 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 12.3 t -81.76 12.6 3.8 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -166.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 p -76.74 70.54 3.23 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 168.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 65.9 mtt -125.62 128.81 48.46 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.094 0.957 . . . . 0.0 110.127 -170.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.9 p -68.83 118.04 11.27 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.325 0.65 . . . . 0.0 110.543 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.273 0 C-N-CA 123.735 0.814 . . . . 0.0 109.54 -176.799 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ttt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -165.64 157.13 14.25 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.87 1.268 . . . . 0.0 109.561 171.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 179.0 8.04 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.271 0.628 . . . . 0.0 111.814 -171.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.502 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 84.6 m-85 -99.52 112.95 25.08 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 124.419 1.088 . . . . 0.0 109.718 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.447 ' HB2' ' HG2' ' B' ' 17' ' ' ARG . 33.4 mt-10 -94.73 112.62 24.35 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 23.1 mt -99.18 114.75 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -174.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.69 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 46.2 p90 -134.3 167.7 20.23 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.436 HE21 ' HA2' ' B' ' 12' ' ' GLY . 10.0 pt20 -111.33 142.38 43.64 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 168.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.55 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 26.7 t70 -77.93 163.89 25.6 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.14 0.976 . . . . 0.0 109.013 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -33.32 10.19 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 125.034 1.334 . . . . 0.0 112.432 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.31 7.91 2.0 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 124.64 1.176 . . . . 0.0 112.669 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.436 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 69.76 23.39 76.84 Favored Glycine 0 C--N 1.35 1.306 0 C-N-CA 123.803 0.716 . . . . 0.0 112.888 -173.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.55 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 39.1 mt-10 -93.45 95.57 9.36 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.677 0.391 . . . . 0.0 111.146 -170.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.487 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 60.5 m-85 -55.4 129.16 37.57 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.124 0.57 . . . . 0.0 110.503 171.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -153.75 170.51 20.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.274 1.829 . . . . 0.0 109.085 -172.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -146.04 139.4 26.04 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.447 ' HG2' ' HB2' ' B' ' 5' ' ' GLU . 8.9 ptp180 -107.63 165.8 11.15 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.555 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 23.0 t80 -127.67 142.01 51.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -99.05 -177.9 3.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.229 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.98 161.41 34.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.613 1.165 . . . . 0.0 108.033 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 88.2 p -54.82 -28.77 51.95 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.316 1.046 . . . . 0.0 113.338 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -86.23 17.59 3.59 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 123.493 0.717 . . . . 0.0 111.518 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.67 48.47 81.16 Favored Glycine 0 C--N 1.352 1.444 0 C-N-CA 123.815 0.721 . . . . 0.0 113.761 175.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -139.18 139.82 37.64 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.264 0.626 . . . . 0.0 110.11 -176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 90.4 m -78.76 142.05 37.33 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.445 0.698 . . . . 0.0 109.936 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.555 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.4 ppp? -120.16 -21.55 6.96 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.549 -176.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.572 ' HE2' ' HB3' ' B' ' 29' ' ' SER . 3.0 p90 -152.22 161.25 42.89 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.606 0.717 . . . . 0.0 111.137 168.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -130.48 141.51 50.51 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 113.39 -1.732 . . . . 0.0 106.926 166.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.572 ' HB3' ' HE2' ' B' ' 27' ' ' PHE . 86.2 p -102.59 176.92 5.01 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.195 0.522 . . . . 0.0 110.265 -174.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -82.39 -13.8 56.26 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.575 169.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 73.93 -1.3 47.88 Favored Glycine 0 C--N 1.356 1.689 0 N-CA-C 115.498 0.959 . . . . 0.0 115.498 -178.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 82.63 -53.72 0.2 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.666 1.587 . . . . 0.0 111.68 169.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -166.45 -57.84 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.447 0.699 . . . . 0.0 110.949 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.509 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -146.52 -171.14 3.68 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.728 0.811 . . . . 0.0 108.978 -169.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.565 ' HZ1' ' CG ' ' A' ' 56' ' ' ASP . 24.6 tttp -66.16 -49.42 67.47 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.254 0.621 . . . . 0.0 110.577 178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.13 73.35 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.647 0.779 . . . . 0.0 110.973 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.509 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 8.1 m -72.98 -30.56 63.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.859 0.864 . . . . 0.0 111.015 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.91 -54.6 20.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.814 0.846 . . . . 0.0 110.508 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.43 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.2 mp -57.75 -47.55 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.192 0.597 . . . . 0.0 110.942 175.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.6 -39.11 73.01 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 123.454 0.701 . . . . 0.0 111.772 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.62 -53.66 53.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.314 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.418 ' HA ' HG12 ' B' ' 45' ' ' ILE . 73.2 mt -58.08 -28.23 33.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 122.885 0.474 . . . . 0.0 111.352 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.461 ' HB3' HH21 ' B' ' 47' ' ' ARG . 51.9 mt-10 -62.5 -39.23 92.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.851 0.461 . . . . 0.0 109.973 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 7.8 m -54.69 -38.72 67.34 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.692 0.62 . . . . 0.0 112.115 172.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.502 HG21 ' HZ ' ' B' ' 4' ' ' PHE . 3.3 mm -68.84 -40.54 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -175.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.1 mmmm -63.06 -21.95 66.52 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.119 -0.946 . . . . 0.0 113.395 -176.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.461 HH21 ' HB3' ' B' ' 43' ' ' GLU . 21.7 mmt180 -71.39 -61.21 1.86 Allowed 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.491 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -163.51 17.72 0.07 Allowed 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.867 0.467 . . . . 0.0 111.233 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.483 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 23.0 t -64.22 -32.36 73.91 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.695 -0.628 . . . . 0.0 112.254 -176.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.42 -22.69 67.03 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.81 0.444 . . . . 0.0 111.915 172.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.41 -8.07 36.11 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-O 119.371 -0.683 . . . . 0.0 113.932 173.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.59 151.25 38.42 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.848 0.859 . . . . 0.0 111.566 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -75.36 158.6 32.52 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.221 0.534 . . . . 0.0 110.563 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 41.7 m -119.57 99.57 6.75 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.406 0.683 . . . . 0.0 109.608 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 86.1 t -99.79 125.69 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.743 1.217 . . . . 0.0 109.505 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.5 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.3 t70 -99.42 110.03 22.56 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.37 0.668 . . . . 0.0 110.259 175.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 mp -77.74 -30.51 51.64 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.349 1.06 . . . . 0.0 111.955 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.608 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.6 t -81.81 7.01 13.81 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 118.166 0.439 . . . . 0.0 112.059 -167.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 p -72.98 -34.25 66.33 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 167.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 81.7 mtp -128.95 78.47 1.85 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 165.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.439 HG21 ' HG2' ' A' ' 8' ' ' GLN . 2.8 m -59.1 145.7 41.31 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.223 1.009 . . . . 0.0 113.062 -166.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.253 1.021 . . . . 0.0 109.567 -173.764 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.75 172.89 16.26 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.171 0.588 . . . . 0.0 112.329 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.418 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -157.25 174.98 14.63 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.563 -174.183 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.453 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 76.9 m-85 -100.92 120.69 40.53 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.354 1.062 . . . . 0.0 109.642 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 16' ' ' PHE . 78.2 mt-10 -92.34 107.35 19.15 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.592 0.757 . . . . 0.0 110.005 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.49 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 38.1 mt -100.67 113.78 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.567 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 20.8 p90 -138.87 178.29 7.26 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -177.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -115.52 141.56 47.89 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 163.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.572 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 19.4 t70 -78.38 165.72 23.49 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -51.02 -35.33 33.55 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.224 1.01 . . . . 0.0 112.308 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HB3' ' HG2' ' A' ' 13' ' ' GLU . . . -73.97 6.58 3.24 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 123.879 0.872 . . . . 0.0 112.637 176.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.04 29.43 60.66 Favored Glycine 0 C--N 1.351 1.363 0 C-N-CA 124.314 0.959 . . . . 0.0 112.444 -175.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 11.4 mm-40 -92.96 89.17 6.43 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.344 0.258 . . . . 0.0 110.991 -171.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.405 ' CD1' ' HB3' ' A' ' 35' ' ' LYS . 64.1 m-85 -59.02 125.13 22.36 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.099 0.476 . . . . 0.0 111.297 173.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -169.61 165.97 10.08 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 114.204 -1.362 . . . . 0.0 111.693 -172.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 48.4 p90 -128.34 144.2 51.1 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.56 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.666 ' HD2' HG21 ' A' ' 25' ' ' THR . 41.8 mtm180 -108.2 165.03 11.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.392 1.077 . . . . 0.0 108.562 170.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.552 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 20.1 t80 -125.87 138.6 53.81 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 170.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -100.21 -178.38 3.81 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.148 0.979 . . . . 0.0 111.852 -173.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.37 162.47 30.05 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.273 -1.33 . . . . 0.0 108.693 174.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.5 p -53.16 -26.33 16.71 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -85.31 -1.82 57.39 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.137 0.575 . . . . 0.0 111.898 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.35 28.98 46.57 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 123.023 0.344 . . . . 0.0 112.429 -172.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -103.11 124.83 49.31 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.354 0.662 . . . . 0.0 110.576 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.666 HG21 ' HD2' ' A' ' 17' ' ' ARG . 93.6 m -77.77 129.65 35.74 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 173.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.566 ' HE1' ' HD1' ' A' ' 27' ' ' PHE . 1.5 ppp? -108.3 -17.98 13.87 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.663 0.785 . . . . 0.0 112.171 -176.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.566 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 5.4 p90 -156.95 163.58 38.97 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.46 0.648 . . . . 0.0 111.912 166.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 t -129.05 141.16 51.32 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.336 -1.756 . . . . 0.0 106.681 169.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.451 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 36.0 t -101.91 178.9 4.48 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.103 0.561 . . . . 0.0 110.128 -174.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -93.99 -6.96 44.18 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.495 0.718 . . . . 0.0 109.599 169.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.46 3.51 82.86 Favored Glycine 0 C--N 1.357 1.723 0 N-CA-C 114.608 0.603 . . . . 0.0 114.608 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.531 ' HD2' ' HB3' ' A' ' 37' ' ' SER . 76.7 t80 75.74 -63.05 0.42 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.453 1.501 . . . . 0.0 111.101 176.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -152.87 -49.51 0.1 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.283 0.633 . . . . 0.0 111.107 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -151.61 -175.34 5.16 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.658 0.783 . . . . 0.0 109.585 -172.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -70.11 -46.31 65.07 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 119.115 0.871 . . . . 0.0 110.969 -178.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.474 ' N ' ' HD3' ' A' ' 35' ' ' LYS . . . -59.2 -40.76 86.76 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.076 0.551 . . . . 0.0 110.467 177.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.531 ' HB3' ' HD2' ' A' ' 32' ' ' TYR . 4.4 m -65.68 -29.87 70.48 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.874 176.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.61 66.65 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.269 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -54.8 -50.85 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 123.157 0.583 . . . . 0.0 110.882 172.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -58.33 -37.02 74.28 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.392 0.677 . . . . 0.0 111.152 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -62.57 -51.24 68.11 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.49 173.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.514 ' HA ' HG12 ' A' ' 45' ' ' ILE . 73.2 mt -61.06 -25.55 36.48 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 O-C-N 122.053 -0.405 . . . . 0.0 111.653 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 46.7 mt-10 -69.55 -30.64 68.49 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 37.7 m -57.56 -39.49 76.8 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 123.743 0.652 . . . . 0.0 111.427 169.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.514 HG12 ' HA ' ' A' ' 42' ' ' ILE . 3.9 mm -67.91 -41.2 84.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -173.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HD2' ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -57.84 -28.96 64.59 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.611 1.164 . . . . 0.0 113.787 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.5 mmt180 -70.69 -47.94 57.25 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -170.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -174.07 16.49 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 123.332 0.395 . . . . 0.0 111.913 -172.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.513 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.2 t -66.05 -30.56 71.11 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.445 -0.784 . . . . 0.0 112.179 -175.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.24 -37.75 75.5 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 123.424 0.452 . . . . 0.0 111.679 171.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.06 2.27 65.84 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.705 -0.497 . . . . 0.0 113.941 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.08 157.84 24.3 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.512 0.725 . . . . 0.0 112.164 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' B' ' 3' ' ' LYS . 29.8 t0 -83.45 153.34 24.52 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 m -117.15 100.83 7.98 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.896 0.478 . . . . 0.0 109.833 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.7 t -105.32 130.09 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.673 0.789 . . . . 0.0 110.319 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.718 ' HB2' HG23 ' A' ' 59' ' ' THR . 5.2 m-20 -98.62 108.4 21.08 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.869 0.868 . . . . 0.0 109.377 175.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mp -77.8 -14.58 59.54 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.244 1.018 . . . . 0.0 111.226 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -100.37 21.6 12.87 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 123.498 0.719 . . . . 0.0 110.429 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.718 HG23 ' HB2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -55.27 111.35 0.85 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.636 0.774 . . . . 0.0 110.891 173.443 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.9 tpp -99.78 45.52 0.99 Allowed 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 121.991 0.9 . . . . 0.0 108.772 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.7 p -71.37 113.45 8.43 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.413 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 C-N-CA 124.296 1.038 . . . . 0.0 108.919 179.501 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ttt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.99 174.05 14.34 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.651 0.78 . . . . 0.0 111.553 175.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -158.44 175.26 13.92 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.486 -174.032 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.44 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 71.7 m-85 -101.09 120.62 40.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.421 1.089 . . . . 0.0 109.57 174.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' B' ' 16' ' ' PHE . 42.7 mt-10 -92.75 107.43 19.21 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.785 0.834 . . . . 0.0 109.81 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.446 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 56.6 mt -100.72 113.86 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.469 ' HE1' ' HG3' ' B' ' 17' ' ' ARG . 5.9 p90 -139.2 178.11 7.42 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -177.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -115.33 141.45 48.02 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 163.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.629 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 24.9 t70 -78.17 165.23 24.19 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -49.62 -35.27 20.49 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.552 1.141 . . . . 0.0 112.939 178.299 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.525 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . . . -75.24 6.92 3.84 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.094 0.958 . . . . 0.0 112.331 177.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.54 29.56 61.49 Favored Glycine 0 C--N 1.345 1.07 0 C-N-CA 124.441 1.02 . . . . 0.0 112.476 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.629 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 16.2 mm-40 -92.7 89.8 6.81 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.316 0.246 . . . . 0.0 110.742 -172.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.43 ' CD1' ' HB2' ' B' ' 35' ' ' LYS . 51.4 m-85 -59.67 125.45 23.69 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.212 0.529 . . . . 0.0 111.4 173.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.403 ' HE ' ' HB2' ' B' ' 9' ' ' ASP . 17.1 ptt180 -169.09 165.77 11.1 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.357 -171.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' B' ' 5' ' ' GLU . 48.5 p90 -128.45 143.92 51.06 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.612 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.504 ' HD2' HG21 ' B' ' 25' ' ' THR . 22.7 mtm180 -107.52 165.43 11.42 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.273 1.029 . . . . 0.0 108.473 170.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.53 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 19.6 t80 -126.03 138.4 53.72 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 169.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -100.22 -178.26 3.77 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.041 0.936 . . . . 0.0 111.728 -173.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.31 162.45 30.03 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.183 -1.372 . . . . 0.0 108.889 174.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.1 p -53.89 -25.37 19.75 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -84.9 -1.91 57.18 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.329 0.651 . . . . 0.0 112.32 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.11 28.9 47.98 Favored Glycine 0 C--N 1.341 0.823 0 O-C-N 123.45 0.469 . . . . 0.0 112.297 -172.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -102.29 124.67 48.29 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.448 0.699 . . . . 0.0 110.568 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.504 HG21 ' HD2' ' B' ' 17' ' ' ARG . 98.7 m -77.88 129.61 35.59 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 173.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.552 ' HE1' ' HD1' ' B' ' 27' ' ' PHE . 1.5 ppp? -108.61 -17.53 13.94 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.487 -0.778 . . . . 0.0 112.088 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.552 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 6.1 p90 -156.88 163.98 38.56 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.562 0.696 . . . . 0.0 111.785 166.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -129.5 141.02 51.09 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 113.421 -1.718 . . . . 0.0 106.764 169.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.456 ' HB2' ' HE2' ' B' ' 27' ' ' PHE . 36.4 t -101.83 178.18 4.69 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.172 0.589 . . . . 0.0 110.154 -174.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -92.55 -7.41 47.29 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.298 0.639 . . . . 0.0 109.847 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.37 3.81 83.06 Favored Glycine 0 C--N 1.356 1.67 0 N-CA-C 114.884 0.714 . . . . 0.0 114.884 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.506 ' HD2' ' HB3' ' B' ' 37' ' ' SER . 80.5 t80 75.63 -63.34 0.41 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.429 1.492 . . . . 0.0 111.089 176.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -152.67 -49.48 0.1 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.468 0.707 . . . . 0.0 111.218 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.463 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -151.24 -175.51 5.19 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.627 0.771 . . . . 0.0 109.124 -172.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.43 ' HB2' ' CD1' ' B' ' 14' ' ' TYR . 48.1 tttm -70.07 -47.4 62.09 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.978 0.808 . . . . 0.0 110.685 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.24 81.1 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.254 0.549 . . . . 0.0 110.741 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.506 ' HB3' ' HD2' ' B' ' 32' ' ' TYR . 3.7 m -65.98 -29.87 70.33 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.819 176.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.78 67.02 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.869 0.868 . . . . 0.0 110.327 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.405 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.9 mp -54.84 -50.39 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 118.301 0.5 . . . . 0.0 110.949 172.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -59.06 -36.23 74.7 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.106 0.562 . . . . 0.0 111.673 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -62.62 -51.69 66.29 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.367 172.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.502 ' O ' ' HD2' ' B' ' 46' ' ' LYS . 77.8 mt -61.01 -25.66 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 O-C-N 122.092 -0.38 . . . . 0.0 111.682 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 47.7 mt-10 -68.91 -30.12 68.53 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.434 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 32.2 m -58.57 -39.04 79.19 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.144 0.578 . . . . 0.0 111.362 169.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.518 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.2 mm -67.95 -41.53 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 124.025 0.828 . . . . 0.0 108.967 -174.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.502 ' HD2' ' O ' ' B' ' 42' ' ' ILE . 0.7 OUTLIER -57.52 -29.64 64.5 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.824 1.249 . . . . 0.0 113.79 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 31.2 mmm180 -69.8 -47.91 61.08 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -170.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -174.59 16.21 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 O-C-N 123.371 0.419 . . . . 0.0 111.98 -171.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.518 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 24.0 t -66.25 -30.63 71.11 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.405 -0.809 . . . . 0.0 112.214 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.24 76.87 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.753 0.421 . . . . 0.0 111.492 171.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.33 2.74 68.44 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 119.567 -0.574 . . . . 0.0 113.977 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.58 157.58 26.56 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.5 0.72 . . . . 0.0 112.229 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.418 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 19.8 t70 -82.49 152.84 25.89 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 16.8 m -116.48 100.55 7.94 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.035 0.534 . . . . 0.0 110.211 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.1 p -105.1 130.78 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.264 0.626 . . . . 0.0 110.656 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.49 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.5 t70 -98.79 108.43 21.12 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.956 0.903 . . . . 0.0 110.212 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.16 -19.76 50.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.29 1.036 . . . . 0.0 112.206 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.567 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 8.9 t -89.52 12.66 15.92 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 118.409 0.549 . . . . 0.0 111.515 -174.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 p -80.31 -23.21 40.82 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 168.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 44.9 ttm -118.92 83.88 2.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.245 1.018 . . . . 0.0 108.432 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 51.1 p -107.15 115.81 30.84 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 171.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -179.093 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.0 ttp . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.42 172.8 2.37 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.711 0.804 . . . . 0.0 112.571 173.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.89 178.65 8.71 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.417 -172.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.32 120.36 39.82 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.712 1.205 . . . . 0.0 109.375 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.457 ' HB2' ' HG2' ' A' ' 17' ' ' ARG . 46.6 mt-10 -96.7 111.32 23.53 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 175.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.495 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 42.4 mt -102.8 116.04 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.648 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 35.9 p90 -139.9 -177.85 5.17 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -122.22 155.48 35.76 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 165.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -88.23 159.75 18.0 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.356 -1.293 . . . . 0.0 108.69 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -34.27 2.23 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.681 1.593 . . . . 0.0 113.353 176.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.8 4.7 3.06 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.097 0.959 . . . . 0.0 112.91 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.51 35.07 89.5 Favored Glycine 0 C--N 1.36 1.891 0 C-N-CA 123.917 0.77 . . . . 0.0 112.39 -174.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -111.05 130.28 55.65 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.019 0.528 . . . . 0.0 109.611 -174.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -84.88 127.32 34.1 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -128.04 135.21 49.54 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -122.18 131.09 53.77 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 167.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' HD2' ' HE1' ' A' ' 7' ' ' TYR . 8.9 ptm180 -113.07 164.83 12.99 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.999 0.919 . . . . 0.0 109.059 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.662 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 15.1 t80 -121.62 133.56 54.99 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 171.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -98.6 -179.64 4.38 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.619 -173.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . . . -132.17 162.6 30.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.226 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 m -53.01 -35.19 59.13 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.622 1.169 . . . . 0.0 113.331 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.461 HD21 ' HB3' ' A' ' 24' ' ' GLU . 4.6 p-10 -83.38 -3.09 57.2 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.986 0.514 . . . . 0.0 111.887 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.9 49.36 6.49 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 123.5 0.571 . . . . 0.0 112.98 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' HB3' HD21 ' A' ' 22' ' ' ASN . 10.0 pt-20 -125.15 154.06 42.07 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 174.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.3 m -95.36 144.52 25.83 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.207 0.603 . . . . 0.0 109.585 174.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.662 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.9 ppp? -121.33 -30.51 4.27 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.606 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.444 ' N ' ' SD ' ' A' ' 26' ' ' MET . 3.3 p90 -138.44 149.13 45.17 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.571 0.7 . . . . 0.0 110.901 167.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 m -123.8 132.42 53.78 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 113.327 -1.76 . . . . 0.0 106.47 169.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -111.99 164.79 12.74 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 123.302 0.641 . . . . 0.0 109.523 -174.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.65 2.18 20.32 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.973 0.909 . . . . 0.0 111.807 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.06 -6.98 61.09 Favored Glycine 0 N--CA 1.477 1.373 0 CA-C-O 120.055 -0.303 . . . . 0.0 113.693 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.9 t80 78.8 -52.11 0.46 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.599 1.96 . . . . 0.0 111.649 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -165.35 -57.82 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.598 0.759 . . . . 0.0 110.364 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -146.36 -169.99 3.39 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.043 0.937 . . . . 0.0 108.62 -174.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -65.75 -47.5 75.03 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.569 0.622 . . . . 0.0 110.677 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.86 -44.5 70.41 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.213 0.53 . . . . 0.0 110.787 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.441 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 14.8 m -72.19 -28.42 63.19 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.15 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.81 -55.55 14.39 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 123.537 0.735 . . . . 0.0 110.72 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.476 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 2.8 mp -60.11 -48.48 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-O 118.929 -0.558 . . . . 0.0 110.36 177.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -57.14 -39.74 75.78 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 123.561 0.538 . . . . 0.0 110.864 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.73 -56.13 26.1 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 173.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.467 HG22 ' HD3' ' A' ' 46' ' ' LYS . 87.7 mt -57.63 -24.64 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 123.519 0.728 . . . . 0.0 111.981 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' HA ' ' HG2' ' A' ' 46' ' ' LYS . 23.3 mm-40 -66.78 -28.75 68.64 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.916 0.486 . . . . 0.0 110.569 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -55.56 -43.47 75.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 123.651 0.595 . . . . 0.0 112.109 165.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.494 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.7 mm -66.13 -41.02 88.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-O 121.573 0.701 . . . . 0.0 109.148 -172.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.532 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 6.6 mmmm -61.69 -22.21 65.14 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 114.76 -1.109 . . . . 0.0 113.277 -174.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 16.2 mmt180 -77.31 -63.77 1.29 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.195 -172.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -153.26 15.5 0.53 Allowed 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 122.366 0.266 . . . . 0.0 111.693 -169.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.494 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 21.7 t -67.2 -33.73 76.01 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -174.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.497 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -60.97 -26.34 67.48 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.85 0.46 . . . . 0.0 111.914 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.72 -4.03 39.8 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-O 119.619 -0.545 . . . . 0.0 113.878 175.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.26 140.25 58.7 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.689 0.796 . . . . 0.0 110.627 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.8 154.74 41.44 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 117.782 0.264 . . . . 0.0 110.421 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.7 m -115.81 99.88 7.61 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.238 0.615 . . . . 0.0 109.775 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.0 t -99.54 127.67 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.687 0.795 . . . . 0.0 109.724 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 13.6 t70 -104.08 112.28 25.22 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.205 0.602 . . . . 0.0 109.587 173.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.37 -20.6 28.03 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.283 1.433 . . . . 0.0 112.271 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.668 HG23 ' HZ3' ' B' ' 35' ' ' LYS . 10.3 t -92.89 15.94 13.68 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.582 0.706 . . . . 0.0 111.441 -171.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.28 2.52 24.29 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.22 0.608 . . . . 0.0 109.961 166.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 24.3 ttt -73.87 -39.26 64.08 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.701 0.8 . . . . 0.0 109.899 166.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.0 p -91.71 148.62 22.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.552 0.741 . . . . 0.0 110.864 -176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 C-N-CA 124.111 0.964 . . . . 0.0 108.789 177.28 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.3 ttm . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.412 ' OH ' ' HB2' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -157.17 178.52 10.24 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.824 0.85 . . . . 0.0 111.311 177.307 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.65 178.23 7.46 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 123.422 0.689 . . . . 0.0 112.029 -174.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -100.49 120.11 39.5 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.014 1.326 . . . . 0.0 109.226 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.93 111.05 23.43 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.435 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 28.4 mt -103.11 116.08 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.63 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 21.1 p90 -139.88 -177.79 5.14 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -122.75 154.23 38.43 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 166.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -87.43 160.21 18.4 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.147 1.379 . . . . 0.0 108.263 175.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -34.24 3.34 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.794 1.638 . . . . 0.0 113.165 176.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.37 4.46 2.93 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.189 0.996 . . . . 0.0 112.894 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.81 34.89 88.68 Favored Glycine 0 C--N 1.348 1.234 0 C-N-CA 123.835 0.731 . . . . 0.0 112.504 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.45 130.84 55.47 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.114 0.566 . . . . 0.0 109.889 -174.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -84.72 127.86 34.32 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -173.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -128.18 135.04 49.18 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 175.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -121.92 131.02 53.8 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 166.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.528 ' HD2' HG21 ' B' ' 25' ' ' THR . 24.6 mtm180 -112.42 165.3 12.33 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 123.964 0.906 . . . . 0.0 109.216 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.647 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 16.7 t80 -122.12 133.31 54.76 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 171.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -98.1 -178.96 4.23 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.854 -174.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.31 162.3 32.19 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.043 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -53.35 -34.41 57.45 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.706 1.202 . . . . 0.0 113.567 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -83.18 -4.63 58.59 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.423 0.689 . . . . 0.0 111.291 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.31 47.35 6.98 Favored Glycine 0 C--N 1.344 0.985 0 C-N-CA 123.451 0.548 . . . . 0.0 112.875 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -123.47 152.97 41.13 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.388 0.675 . . . . 0.0 109.582 174.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.528 HG21 ' HD2' ' B' ' 17' ' ' ARG . 63.6 m -94.48 144.19 25.78 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.293 0.637 . . . . 0.0 109.437 174.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.647 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.9 ppp? -121.17 -30.69 4.28 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.547 -175.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.442 ' N ' ' SD ' ' B' ' 26' ' ' MET . 3.7 p90 -138.17 149.09 45.52 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.539 0.685 . . . . 0.0 110.784 167.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.3 m -123.15 132.53 54.11 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 113.404 -1.726 . . . . 0.0 106.544 170.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -112.72 164.77 12.97 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.052 0.541 . . . . 0.0 109.575 -174.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' B' ' 32' ' ' TYR . 10.3 pt-20 -77.83 2.34 17.52 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.671 0.788 . . . . 0.0 111.649 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.38 -6.84 59.41 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-O 119.901 -0.388 . . . . 0.0 113.964 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.416 ' H ' ' HG3' ' B' ' 30' ' ' GLU . 4.8 t80 78.08 -51.48 0.5 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.68 1.992 . . . . 0.0 111.535 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -165.28 -58.02 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.733 0.813 . . . . 0.0 110.342 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.425 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -145.7 -169.88 3.33 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.886 0.874 . . . . 0.0 108.642 -174.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.668 ' HZ3' HG23 ' A' ' 58' ' ' THR . 17.9 ttmm -65.49 -47.72 75.08 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.462 0.574 . . . . 0.0 110.477 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.66 -44.2 73.07 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.933 0.493 . . . . 0.0 110.683 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.425 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 6.3 m -72.11 -28.89 63.58 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.01 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.35 -55.66 14.85 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.624 0.77 . . . . 0.0 110.778 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 mp -60.01 -47.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 122.883 0.473 . . . . 0.0 110.638 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -58.23 -39.22 78.5 Favored 'General case' 0 C--O 1.258 1.508 0 O-C-N 123.582 0.551 . . . . 0.0 110.679 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.28 -56.14 25.91 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.459 HG22 ' HD3' ' B' ' 46' ' ' LYS . 88.4 mt -57.32 -24.81 22.19 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 123.583 0.753 . . . . 0.0 111.895 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.545 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 46.5 mt-10 -67.04 -28.15 67.99 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 122.719 0.408 . . . . 0.0 110.819 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.3 m -55.65 -43.46 76.27 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 123.443 0.465 . . . . 0.0 112.036 165.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.495 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.8 mm -66.5 -40.82 87.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -172.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.545 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.6 mmmm -62.19 -22.02 65.58 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 114.869 -1.06 . . . . 0.0 113.446 -174.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 26.4 mmm180 -76.21 -65.82 0.87 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.894 -172.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -151.59 14.98 0.67 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.035 0.534 . . . . 0.0 111.86 -169.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.495 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 19.8 t -67.23 -33.41 75.3 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -173.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -61.16 -26.62 67.82 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.878 0.471 . . . . 0.0 112.031 172.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.32 -4.4 40.84 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-O 119.377 -0.679 . . . . 0.0 113.848 175.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.37 139.54 58.78 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.866 0.866 . . . . 0.0 110.562 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.62 154.13 42.14 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 117.881 0.31 . . . . 0.0 110.558 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 58.6 m -115.45 100.13 7.87 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.096 0.558 . . . . 0.0 109.818 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -99.24 127.77 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.949 0.899 . . . . 0.0 109.703 -177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.495 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 4.5 t70 -103.52 112.51 25.45 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.234 1.014 . . . . 0.0 109.769 172.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.11 -21.7 24.53 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 124.868 1.267 . . . . 0.0 113.001 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.648 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.7 t -91.6 -18.72 23.61 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 119.417 1.008 . . . . 0.0 113.065 -168.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.0 p 33.3 40.26 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -174.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 43.8 ttm -133.55 128.02 34.37 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -177.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 40.8 p -70.79 -65.01 0.79 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.534 0.734 . . . . 0.0 111.713 -175.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -177.431 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 ttm . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -155.1 175.42 13.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.613 0.765 . . . . 0.0 110.466 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -162.23 -179.87 7.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.204 0.526 . . . . 0.0 112.131 -172.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.421 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 89.3 m-85 -99.34 120.49 39.66 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.643 1.177 . . . . 0.0 110.486 176.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -94.77 107.87 19.88 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.325 0.65 . . . . 0.0 110.291 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 43.6 mt -99.29 123.67 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.526 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.6 p90 -155.02 -177.41 6.51 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 120.791 0.329 . . . . 0.0 110.406 173.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -115.06 145.7 42.04 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 172.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 15.6 t70 -79.13 162.53 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -48.77 -35.15 13.64 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.973 1.309 . . . . 0.0 111.765 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.7 7.16 3.24 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.005 0.922 . . . . 0.0 112.937 177.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.35 77.13 Favored Glycine 0 C--N 1.342 0.904 0 C-N-CA 124.258 0.932 . . . . 0.0 113.156 -176.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 46.7 mt-10 -93.76 95.51 9.19 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 116.817 0.309 . . . . 0.0 111.188 -168.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -54.66 133.77 46.9 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.125 0.488 . . . . 0.0 111.261 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -156.28 138.18 14.39 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 126.004 1.721 . . . . 0.0 108.822 -172.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -114.66 138.59 50.5 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.589 ' HG2' ' HA ' ' A' ' 28' ' ' SER . 81.8 mtp180 -118.21 161.9 19.13 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.931 0.893 . . . . 0.0 108.735 -176.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.625 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 14.2 t80 -124.31 132.27 53.55 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -99.38 -179.4 4.21 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.978 -172.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -134.56 157.31 46.88 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.094 1.358 . . . . 0.0 107.752 177.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.5 p -51.21 -26.89 7.68 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -91.19 13.12 17.97 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.015 0.926 . . . . 0.0 111.897 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.34 16.39 77.23 Favored Glycine 0 C--N 1.35 1.311 0 C-N-CA 123.322 0.487 . . . . 0.0 113.444 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 22.1 mm-40 -81.87 155.56 25.28 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.565 0.746 . . . . 0.0 109.902 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 m -117.95 147.85 42.76 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.625 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -124.01 -12.89 7.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.806 0.843 . . . . 0.0 111.814 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 6.6 p90 -159.51 160.72 34.92 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.95 0.881 . . . . 0.0 112.66 164.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.589 ' HA ' ' HG2' ' A' ' 17' ' ' ARG . 40.0 t -125.03 140.15 53.16 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 112.543 -2.117 . . . . 0.0 106.15 166.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.441 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 46.0 t -98.71 177.51 5.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.77 3.81 54.96 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 122.816 0.447 . . . . 0.0 110.131 168.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.57 -12.89 57.92 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 115.077 0.791 . . . . 0.0 115.077 170.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 t80 81.71 -57.31 0.25 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.863 1.665 . . . . 0.0 110.494 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -154.96 -56.02 0.1 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.048 0.539 . . . . 0.0 110.011 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -157.97 -172.17 3.81 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.152 0.981 . . . . 0.0 109.124 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.709 ' HD3' HG23 ' B' ' 58' ' ' THR . 22.5 pttp -71.51 -42.56 67.86 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 119.041 0.837 . . . . 0.0 111.886 -174.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.07 96.0 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.198 0.523 . . . . 0.0 110.606 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.453 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 8.2 m -66.33 -24.27 66.5 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.101 175.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.71 -40.82 65.88 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.151 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.4 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 3.0 mp -57.15 -49.8 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 118.728 0.694 . . . . 0.0 109.903 170.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -57.61 -39.49 77.01 Favored 'General case' 0 C--O 1.254 1.296 0 O-C-N 123.719 0.637 . . . . 0.0 111.171 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -62.73 -52.05 64.77 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.254 174.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.549 ' HA ' HG12 ' A' ' 45' ' ' ILE . 84.0 mt -60.25 -23.8 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 123.083 0.553 . . . . 0.0 111.745 178.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 54.7 mt-10 -65.94 -34.52 78.3 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 6.0 m -56.17 -40.33 73.73 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 123.608 0.568 . . . . 0.0 111.722 169.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.549 HG12 ' HA ' ' A' ' 42' ' ' ILE . 5.5 mm -66.88 -39.7 84.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 123.729 0.643 . . . . 0.0 109.667 -173.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.573 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 9.7 mmmm -63.4 -27.81 69.56 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.725 -176.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 43' ' ' GLU . 93.9 mtt180 -71.09 -54.15 12.14 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.058 -0.974 . . . . 0.0 113.316 -171.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -164.13 15.62 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.532 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.9 t -68.54 -33.25 73.77 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 121.76 -0.588 . . . . 0.0 112.038 -176.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.559 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -65.14 -15.58 62.56 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.85 -6.72 28.15 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.434 -0.648 . . . . 0.0 114.011 171.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.56 129.89 40.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.867 0.867 . . . . 0.0 112.491 -176.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.29 155.1 25.8 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.564 0.746 . . . . 0.0 111.727 -176.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.9 m -111.0 100.71 9.36 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.061 0.544 . . . . 0.0 110.391 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.4 t -100.17 124.83 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.89 0.876 . . . . 0.0 110.153 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.481 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.9 t70 -104.1 109.91 21.88 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.115 0.966 . . . . 0.0 110.113 174.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -86.82 -18.34 31.22 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.671 1.188 . . . . 0.0 112.524 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.615 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 14.0 t -91.81 20.16 5.88 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.224 0.535 . . . . 0.0 112.087 -172.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -20.8 63.86 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.681 0.392 . . . . 0.0 110.327 165.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.9 ttm -64.96 90.43 0.08 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.29 1.036 . . . . 0.0 109.021 171.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 m -71.22 -23.74 62.07 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.182 -171.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 170.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttm . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -69.47 169.02 13.31 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.524 0.678 . . . . 0.0 111.961 172.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.47 179.59 8.49 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.534 -169.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.457 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 76.3 m-85 -98.89 119.81 38.28 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.762 1.225 . . . . 0.0 110.562 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -94.39 108.02 19.95 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.22 0.608 . . . . 0.0 109.832 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.481 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 47.7 mt -99.41 124.23 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.615 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 30.2 p90 -155.27 -177.47 6.57 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 173.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.492 HE21 ' HA2' ' B' ' 12' ' ' GLY . 10.5 pt20 -115.05 145.05 42.7 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 172.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.54 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 23.6 t70 -78.41 162.43 26.43 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.827 0.851 . . . . 0.0 108.812 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -47.98 -34.48 9.35 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.752 1.221 . . . . 0.0 112.872 177.023 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.502 ' N ' ' HD2' ' B' ' 10' ' ' LYS . . . -76.29 7.41 4.32 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.079 0.952 . . . . 0.0 112.601 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.492 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 77.06 19.66 76.97 Favored Glycine 0 C--N 1.343 0.923 0 C-N-CA 124.298 0.952 . . . . 0.0 113.324 -176.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.54 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 39.8 mt-10 -94.27 95.76 9.14 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.769 0.284 . . . . 0.0 111.443 -169.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -55.36 131.18 45.1 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.491 0.494 . . . . 0.0 111.184 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -152.61 138.86 18.38 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 126.352 1.861 . . . . 0.0 108.222 -173.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -114.3 138.17 50.85 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 168.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.656 ' HE ' HG21 ' B' ' 25' ' ' THR . 82.8 mtp180 -116.32 161.81 18.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.372 1.069 . . . . 0.0 108.575 -177.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.619 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 13.4 t80 -124.1 132.48 53.66 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -99.37 -179.57 4.26 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.948 -172.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -134.09 157.36 46.35 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.072 1.349 . . . . 0.0 107.71 176.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 16.2 m -51.58 -26.57 8.97 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.614 1.166 . . . . 0.0 113.409 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.46 ' HB2' ' HG2' ' B' ' 24' ' ' GLU . 64.0 m-20 -91.15 12.88 18.63 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.058 0.943 . . . . 0.0 111.749 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.21 16.42 77.0 Favored Glycine 0 C--N 1.35 1.317 0 C-N-CA 123.56 0.6 . . . . 0.0 113.689 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 20.8 mm-40 -81.68 155.55 25.51 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.675 0.79 . . . . 0.0 109.307 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.656 HG21 ' HE ' ' B' ' 17' ' ' ARG . 22.4 m -117.69 148.03 42.37 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 171.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.619 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.5 ppp? -123.87 -12.65 7.52 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.699 0.8 . . . . 0.0 111.82 -177.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.509 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 6.8 p90 -159.96 160.74 33.77 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.858 0.837 . . . . 0.0 112.51 164.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' B' ' 17' ' ' ARG . 46.3 t -125.1 140.43 52.89 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 112.496 -2.138 . . . . 0.0 106.045 166.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' B' ' 27' ' ' PHE . 43.8 t -99.17 178.04 5.03 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -93.58 3.93 54.74 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.05 -13.39 54.65 Favored Glycine 0 C--N 1.363 2.054 0 N-CA-C 115.365 0.906 . . . . 0.0 115.365 170.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 34.1 t80 81.06 -56.66 0.29 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.007 1.723 . . . . 0.0 110.748 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -154.76 -55.89 0.1 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.071 0.548 . . . . 0.0 109.93 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.464 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -158.38 -172.29 3.81 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.995 0.918 . . . . 0.0 108.947 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -42.17 67.61 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 119.019 0.827 . . . . 0.0 111.865 -174.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.99 95.67 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.14 0.495 . . . . 0.0 110.589 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.464 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 16.5 m -66.72 -23.96 66.17 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.245 175.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.26 -40.49 64.56 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.028 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 mp -56.99 -48.9 80.89 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 CA-C-N 118.857 0.753 . . . . 0.0 110.092 170.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -59.41 -39.19 82.65 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.687 0.756 . . . . 0.0 110.637 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -62.79 -52.09 64.53 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.252 174.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.537 ' HA ' HG12 ' B' ' 45' ' ' ILE . 87.2 mt -60.05 -24.09 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.106 0.563 . . . . 0.0 111.604 177.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 44.8 mt-10 -65.95 -34.16 77.48 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 119.16 -0.447 . . . . 0.0 109.857 177.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 21.7 m -56.3 -40.47 74.37 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 123.643 0.59 . . . . 0.0 111.676 169.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.538 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.0 mm -66.48 -39.89 85.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.755 -174.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.1 mmmm -63.63 -27.73 69.43 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.398 -176.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 19.2 mmt180 -71.19 -54.17 11.92 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.58 -170.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -164.3 15.57 0.05 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -170.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.538 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 13.6 t -68.63 -33.3 73.78 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.552 -0.718 . . . . 0.0 112.121 -177.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -65.7 -15.25 62.62 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 172.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.37 -7.38 28.35 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-O 119.471 -0.627 . . . . 0.0 114.045 171.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.32 129.58 40.18 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.115 0.966 . . . . 0.0 112.427 -175.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.48 154.46 24.44 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.01 0.924 . . . . 0.0 111.8 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.6 m -111.07 100.38 9.07 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.199 0.6 . . . . 0.0 110.311 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 58.5 t -99.72 125.62 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.741 0.816 . . . . 0.0 110.286 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.451 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 8.8 t70 -104.88 110.39 22.74 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.529 0.731 . . . . 0.0 109.867 174.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.46 -19.49 29.51 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.579 1.152 . . . . 0.0 112.426 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.709 HG23 ' HD3' ' A' ' 35' ' ' LYS . 12.3 t -98.14 15.87 22.98 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 121.178 0.514 . . . . 0.0 111.139 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.2 p -78.8 -33.89 45.88 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 166.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 15.4 tpt -96.46 -59.32 1.85 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.184 0.994 . . . . 0.0 110.631 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 67.1 p -113.78 -157.88 0.64 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.188 0.995 . . . . 0.0 109.476 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.306 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 168.734 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.2 ttm . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -154.19 176.08 12.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.054 0.942 . . . . 0.0 110.455 175.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.539 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -159.96 176.66 11.61 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.797 -173.571 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -100.79 119.58 38.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.489 1.116 . . . . 0.0 109.346 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -94.93 112.91 24.59 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.411 HD11 HD12 ' A' ' 42' ' ' ILE . 51.7 mt -106.51 121.55 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.617 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 47.0 p90 -158.1 -175.85 5.58 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.4 0.619 . . . . 0.0 110.792 177.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.447 HE21 ' HA2' ' A' ' 12' ' ' GLY . 13.9 pt20 -119.06 145.84 45.57 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 171.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -104.26 -179.03 3.83 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -177.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -35.45 1.78 Allowed 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 126.085 1.754 . . . . 0.0 114.815 -173.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.28 9.73 4.35 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.549 0.739 . . . . 0.0 112.115 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.447 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 61.41 24.53 63.83 Favored Glycine 0 C--N 1.357 1.717 0 C-N-CA 123.899 0.761 . . . . 0.0 112.047 -169.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -98.78 134.49 41.6 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -168.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.464 ' O ' ' HD3' ' A' ' 15' ' ' ARG . 57.1 m-85 -92.24 130.1 38.03 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -172.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' HD3' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -139.25 137.11 35.64 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.774 1.63 . . . . 0.0 108.511 -179.409 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -118.69 133.37 55.9 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 167.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -127.03 158.13 37.77 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.953 0.901 . . . . 0.0 108.982 -174.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.667 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 14.1 t80 -116.48 132.42 56.68 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -100.3 179.96 4.3 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.64 -1.163 . . . . 0.0 111.147 -171.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.41 160.08 36.14 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.434 1.094 . . . . 0.0 108.666 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.1 m -44.38 -37.2 3.22 Favored 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -102.76 16.15 27.31 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 122.655 0.382 . . . . 0.0 111.873 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.23 12.28 65.68 Favored Glycine 0 N--CA 1.472 1.072 0 N-CA-C 114.853 0.701 . . . . 0.0 114.853 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -76.91 157.91 31.06 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.989 0.516 . . . . 0.0 110.512 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.9 m -120.27 139.41 52.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.155 0.582 . . . . 0.0 109.441 174.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.667 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.8 ppp? -115.84 -24.78 8.02 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.779 0.832 . . . . 0.0 111.722 -174.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.434 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 3.1 p90 -147.12 154.62 41.34 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.5 0.667 . . . . 0.0 111.241 168.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.5 t -127.08 135.03 50.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 166.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 35.8 t -93.48 -175.72 3.88 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -87.94 -4.68 58.8 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 171.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.45 -18.25 55.26 Favored Glycine 0 C--N 1.356 1.669 0 C-N-CA 123.532 0.587 . . . . 0.0 113.473 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.2 t80 81.81 -51.19 0.24 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.218 1.807 . . . . 0.0 110.925 174.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -162.2 -53.97 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.859 0.864 . . . . 0.0 109.489 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.1 -171.67 3.14 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.15 0.98 . . . . 0.0 108.462 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.37 -40.05 74.22 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 118.736 0.698 . . . . 0.0 112.242 -173.682 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.438 ' N ' ' HD3' ' A' ' 35' ' ' LYS . . . -60.76 -42.93 98.4 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 118.135 0.425 . . . . 0.0 110.942 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -67.95 -25.98 65.72 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.088 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.3 -47.06 52.82 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 123.741 0.65 . . . . 0.0 110.875 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.426 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.1 mp -53.51 -53.27 25.98 Favored 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 123.17 0.588 . . . . 0.0 110.52 171.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -61.21 -36.27 79.45 Favored 'General case' 0 C--O 1.255 1.394 0 O-C-N 123.662 0.601 . . . . 0.0 111.764 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -61.1 -54.15 48.14 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 174.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.45 ' HA ' HG12 ' A' ' 45' ' ' ILE . 94.3 mt -60.08 -22.0 23.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 123.143 0.577 . . . . 0.0 112.069 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 44.7 mt-10 -71.12 -27.42 63.56 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 122.111 -0.368 . . . . 0.0 110.049 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 39.1 m -55.92 -41.69 74.95 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 123.727 0.642 . . . . 0.0 112.028 165.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.45 HG12 ' HA ' ' A' ' 42' ' ' ILE . 4.3 mm -68.9 -40.08 80.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -173.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.4 mmmm -64.51 -18.68 65.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.073 0.949 . . . . 0.0 113.255 -176.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 28.0 mmt180 -70.49 -69.83 0.34 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 124.036 0.835 . . . . 0.0 111.709 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -154.96 16.28 0.42 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.536 0.734 . . . . 0.0 110.502 -170.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.431 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.7 t -64.78 -31.86 73.28 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.535 -0.728 . . . . 0.0 112.655 -174.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.84 -25.72 68.29 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.783 0.433 . . . . 0.0 111.781 172.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.41 4.82 33.18 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.835 -0.425 . . . . 0.0 113.603 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.6 174.82 0.7 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.691 0.796 . . . . 0.0 112.091 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.599 ' HB2' ' HB3' ' B' ' 3' ' ' LYS . 10.1 m-20 -100.63 153.94 19.0 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.9 m -115.86 108.03 15.78 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.099 0.56 . . . . 0.0 109.697 175.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -109.12 127.74 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.245 1.018 . . . . 0.0 109.731 -177.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -107.29 110.03 21.95 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.314 0.646 . . . . 0.0 109.562 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.485 ' HB2' ' HB3' ' B' ' 7' ' ' TYR . 2.6 mm? -83.16 -19.4 36.69 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.563 1.145 . . . . 0.0 111.985 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.519 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.5 t -88.38 25.07 1.74 Allowed 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -172.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 p -133.9 -42.39 0.82 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.805 1.242 . . . . 0.0 108.564 166.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 59.0 mtt -70.39 -69.92 0.33 Allowed 'General case' 0 C--N 1.356 0.852 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.847 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.4 p -144.67 109.11 4.86 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.548 0.739 . . . . 0.0 109.869 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 C-N-CA 125.382 1.473 . . . . 0.0 108.127 179.663 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.4 ttt . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -76.5 177.9 7.05 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.519 0.728 . . . . 0.0 112.552 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.599 ' HB3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -164.17 177.01 8.71 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.541 -171.36 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -100.71 119.6 38.84 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.466 1.107 . . . . 0.0 109.32 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -95.11 112.44 24.14 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mt -106.16 121.0 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.519 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 27.3 p90 -158.24 -175.97 5.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.45 0.643 . . . . 0.0 111.546 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.487 HE21 ' HA2' ' B' ' 12' ' ' GLY . 13.2 pt20 -118.66 146.88 44.34 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 172.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -106.3 179.65 4.21 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -43.64 -35.39 1.76 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.086 1.754 . . . . 0.0 114.844 -172.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.27 10.18 3.92 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.437 0.695 . . . . 0.0 112.104 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.487 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 61.55 24.68 64.3 Favored Glycine 0 C--N 1.356 1.663 0 C-N-CA 123.79 0.71 . . . . 0.0 112.061 -169.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -99.09 133.35 43.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.352 0.661 . . . . 0.0 109.502 -168.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -91.84 130.0 37.69 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -172.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.87 137.33 34.81 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.495 1.518 . . . . 0.0 108.816 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -118.49 133.12 56.12 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 167.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.27 158.25 37.69 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.992 0.917 . . . . 0.0 110.028 -175.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.644 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 15.8 t80 -116.4 132.09 56.77 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -100.5 179.51 4.42 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.062 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.76 159.33 37.61 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.592 1.157 . . . . 0.0 108.899 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 37.2 m -43.81 -37.01 2.54 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -102.9 16.26 27.11 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 118.184 0.447 . . . . 0.0 111.684 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.45 11.75 65.98 Favored Glycine 0 N--CA 1.474 1.218 0 N-CA-C 114.541 0.576 . . . . 0.0 114.541 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -76.24 158.23 31.81 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 117.166 0.483 . . . . 0.0 110.429 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -120.48 139.21 53.21 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.644 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.8 ppp? -115.76 -24.67 8.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.921 0.888 . . . . 0.0 111.779 -174.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.439 ' HD1' ' SD ' ' B' ' 26' ' ' MET . 3.2 p90 -147.18 154.45 41.08 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.373 0.606 . . . . 0.0 111.191 167.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.5 t -126.45 135.59 51.57 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 166.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 32.6 t -93.62 -175.66 3.84 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -177.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -88.67 -4.16 58.61 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 171.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.4 -17.76 56.49 Favored Glycine 0 C--N 1.359 1.854 0 CA-C-O 119.562 -0.577 . . . . 0.0 113.359 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 11.0 t80 81.34 -51.19 0.28 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 126.25 1.82 . . . . 0.0 110.704 174.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -162.43 -53.67 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.792 0.837 . . . . 0.0 109.514 173.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.66 -171.66 3.02 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' B' ' 36' ' ' ALA . 0.1 OUTLIER -70.54 -39.84 73.76 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 118.64 0.654 . . . . 0.0 112.127 -173.302 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.456 ' N ' ' HD3' ' B' ' 35' ' ' LYS . . . -60.55 -43.21 97.49 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 118.251 0.478 . . . . 0.0 110.968 177.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 49.4 m -68.04 -25.7 65.5 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.239 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.31 -47.07 52.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.186 0.595 . . . . 0.0 110.903 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -53.89 -52.72 33.09 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 C-N-CA 123.078 0.551 . . . . 0.0 110.378 172.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -61.37 -36.32 79.89 Favored 'General case' 0 C--O 1.257 1.448 0 C-N-CA 123.319 0.648 . . . . 0.0 111.743 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -61.17 -54.21 47.3 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 174.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.431 ' HA ' HG12 ' B' ' 45' ' ' ILE . 96.9 mt -59.86 -22.8 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.387 0.675 . . . . 0.0 112.046 178.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.461 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 43.2 mt-10 -69.85 -28.12 65.41 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 25.0 m -56.16 -41.39 75.38 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.726 0.641 . . . . 0.0 111.803 165.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.431 HG12 ' HA ' ' B' ' 42' ' ' ILE . 4.8 mm -69.14 -39.61 79.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.9 mmmm -65.64 -18.45 65.34 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.757 -176.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 51.6 mmt-85 -69.29 -71.49 0.22 Allowed 'General case' 0 N--CA 1.478 0.933 0 O-C-N 124.039 0.837 . . . . 0.0 111.532 -176.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -153.86 16.46 0.5 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.523 0.729 . . . . 0.0 110.784 -170.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.429 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.7 t -65.55 -31.31 72.29 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.08 -25.6 68.18 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 122.691 0.396 . . . . 0.0 111.674 172.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.57 5.13 32.95 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-O 119.525 -0.597 . . . . 0.0 113.638 174.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.21 175.03 0.59 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.673 0.789 . . . . 0.0 112.084 172.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 32.4 t70 -101.59 153.86 19.37 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.9 m -115.85 108.18 15.97 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 40.7 t -108.72 127.76 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.445 1.098 . . . . 0.0 109.704 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.9 t70 -107.14 110.23 22.27 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.544 0.738 . . . . 0.0 109.549 173.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.495 ' HB2' ' HB3' ' A' ' 7' ' ' TYR . 2.5 mm? -83.79 -21.42 32.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.674 1.19 . . . . 0.0 112.487 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.617 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 12.8 t -86.66 8.43 22.41 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.869 0.758 . . . . 0.0 111.686 -169.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p -83.3 -32.92 26.08 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 169.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 44.4 ttp -89.12 95.66 10.4 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 166.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 42.1 p -66.26 108.14 2.21 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.354 0.597 . . . . 0.0 110.337 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.196 0 C-N-CA 124.274 1.03 . . . . 0.0 110.146 -169.687 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -74.18 154.23 39.16 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.346 0.594 . . . . 0.0 111.203 170.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.27 176.67 9.69 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.511 -167.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -100.93 115.41 30.37 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.652 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -93.25 112.84 24.89 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.468 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 50.4 mt -101.01 109.59 25.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.678 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 32.9 p90 -132.79 -179.54 5.53 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 7.9 pt20 -123.29 143.78 49.85 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 163.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.19 159.32 27.43 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.12 0.968 . . . . 0.0 108.661 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.43 -33.04 3.64 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 125.674 1.59 . . . . 0.0 113.091 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.39 9.46 2.63 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.38 1.072 . . . . 0.0 112.256 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.72 26.54 74.44 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 124.041 0.829 . . . . 0.0 112.875 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 56.8 mt-10 -105.1 102.78 12.26 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.078 0.551 . . . . 0.0 109.711 -172.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.457 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 67.9 m-85 -54.12 128.94 32.9 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.99 0.424 . . . . 0.0 112.044 174.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.497 ' NH1' ' HA ' ' A' ' 30' ' ' GLU . 15.9 mmt180 -137.56 138.41 39.57 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.833 1.653 . . . . 0.0 108.388 -176.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -123.74 131.72 53.66 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 170.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -114.93 169.06 9.37 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.484 0.714 . . . . 0.0 110.044 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.579 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.2 t80 -123.98 133.61 53.65 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 171.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -101.91 -177.56 3.45 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 114.519 -1.219 . . . . 0.0 111.215 -172.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -132.17 159.92 37.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.979 1.312 . . . . 0.0 108.044 174.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.6 p -48.97 -31.98 8.36 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.429 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 86.3 m-20 -86.81 10.88 14.62 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.682 0.793 . . . . 0.0 112.381 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.91 12.55 83.87 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-O 119.89 -0.394 . . . . 0.0 113.086 -175.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.562 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 33.1 mm-40 -75.91 157.33 33.35 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.57 0.748 . . . . 0.0 110.056 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 m -119.21 150.65 39.71 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.579 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 2.1 ppp? -128.51 -29.82 2.39 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.457 0.703 . . . . 0.0 111.781 -176.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.433 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 4.4 p90 -141.34 154.55 45.74 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.558 0.617 . . . . 0.0 111.029 167.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.5 t -130.67 134.51 47.0 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 105.712 -1.958 . . . . 0.0 105.712 165.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.438 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 35.1 t -95.11 176.57 6.18 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.241 0.617 . . . . 0.0 109.637 -173.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.497 ' HA ' ' NH1' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -89.84 0.95 56.73 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.695 0.798 . . . . 0.0 110.884 171.145 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 88.24 -11.07 68.74 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-O 119.727 -0.485 . . . . 0.0 113.996 173.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 t80 78.38 -58.17 0.45 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.775 1.63 . . . . 0.0 111.458 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -158.85 -59.18 0.07 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.428 0.691 . . . . 0.0 110.148 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -151.48 -172.44 4.21 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.193 0.997 . . . . 0.0 108.482 -175.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.757 ' HD3' ' HA ' ' B' ' 61' ' ' THR . 76.1 tttt -69.59 -47.96 61.76 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 118.918 0.781 . . . . 0.0 111.238 -177.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.6 -41.87 77.75 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 121.346 0.593 . . . . 0.0 110.54 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.446 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.1 m -68.1 -29.23 68.11 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.056 176.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.18 64.23 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 123.596 0.758 . . . . 0.0 110.688 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.419 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.3 mp -55.64 -51.46 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.004 0.522 . . . . 0.0 110.718 172.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -59.44 -36.84 76.7 Favored 'General case' 0 C--O 1.256 1.395 0 C-N-CA 123.231 0.612 . . . . 0.0 111.443 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.452 ' HB1' ' HE2' ' B' ' 26' ' ' MET . . . -60.38 -55.9 27.92 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.352 172.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.91 -27.11 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.401 0.68 . . . . 0.0 111.623 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 45.8 mt-10 -65.1 -30.8 71.77 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 119.353 -0.356 . . . . 0.0 110.674 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 19.7 m -54.22 -41.19 68.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 123.593 0.558 . . . . 0.0 111.678 168.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.512 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.2 mm -69.37 -43.65 80.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.514 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 9.2 mmmm -60.95 -25.24 66.67 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.247 1.019 . . . . 0.0 112.816 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 12.5 mmm180 -61.57 -67.14 0.44 Allowed 'General case' 0 N--CA 1.48 1.053 0 O-C-N 124.307 1.004 . . . . 0.0 111.174 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -165.0 17.79 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.557 0.343 . . . . 0.0 111.22 -168.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.512 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.9 t -63.48 -31.98 73.3 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -172.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.36 -30.77 69.77 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.163 0.585 . . . . 0.0 111.554 172.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.5 0.56 46.28 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-O 119.239 -0.756 . . . . 0.0 113.732 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.13 163.06 10.67 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 117.675 0.738 . . . . 0.0 111.326 174.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -86.76 158.73 19.33 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 122.177 -0.327 . . . . 0.0 110.145 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.8 m -119.74 103.48 9.41 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.365 0.666 . . . . 0.0 109.759 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 t -98.62 133.38 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.087 0.955 . . . . 0.0 110.131 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.529 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 7.7 p-10 -102.98 105.65 16.02 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.012 0.925 . . . . 0.0 110.17 173.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.98 -32.28 39.81 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.295 1.038 . . . . 0.0 111.915 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.623 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.0 t -87.36 -12.42 46.43 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.788 0.435 . . . . 0.0 111.889 -167.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.412 HG23 HG23 ' A' ' 58' ' ' THR . 12.0 p -128.43 19.96 6.25 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.548 0.739 . . . . 0.0 109.819 -171.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 45.5 tpp -136.36 -68.12 0.5 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.8 p -99.96 113.33 25.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.288 0.635 . . . . 0.0 109.538 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.849 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -177.226 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ttt . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -79.95 146.12 32.24 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.49 0.662 . . . . 0.0 110.111 170.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.68 176.87 10.5 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.735 -163.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -100.55 115.22 29.62 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.265 1.026 . . . . 0.0 109.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -93.44 112.69 24.66 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.529 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 47.3 mt -101.13 109.41 25.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.623 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 31.0 p90 -132.19 -178.87 5.1 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' B' ' 14' ' ' TYR . 7.9 pt20 -123.33 143.44 50.09 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 163.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -78.61 158.97 28.31 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.464 1.106 . . . . 0.0 108.727 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -46.07 -32.77 3.05 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.596 1.558 . . . . 0.0 113.265 177.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.416 ' N ' ' HD3' ' B' ' 10' ' ' LYS . . . -76.66 9.24 2.91 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 124.58 1.152 . . . . 0.0 112.371 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.67 26.51 74.43 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 123.893 0.759 . . . . 0.0 112.839 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.431 ' HB3' ' NH1' ' B' ' 15' ' ' ARG . 40.8 mt-10 -104.72 103.57 13.22 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 119.133 -0.46 . . . . 0.0 109.965 -173.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.441 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 79.7 m-85 -54.49 128.82 33.64 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 121.102 0.477 . . . . 0.0 111.806 174.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' B' ' 29' ' ' SER . 1.9 mpt_? -136.78 138.71 41.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.236 1.815 . . . . 0.0 108.413 -176.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -124.06 131.22 53.53 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 169.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.513 ' HD2' HG21 ' B' ' 25' ' ' THR . 28.4 mtm180 -113.37 169.08 9.21 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.931 0.892 . . . . 0.0 109.731 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.614 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 15.9 t80 -124.67 133.75 53.11 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 169.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -102.22 -177.72 3.49 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 114.519 -1.218 . . . . 0.0 111.271 -171.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -132.07 159.63 38.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.751 1.22 . . . . 0.0 108.119 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -48.55 -32.13 7.55 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.535 1.134 . . . . 0.0 113.757 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -86.3 10.31 15.22 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.791 0.836 . . . . 0.0 112.487 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.15 12.61 83.98 Favored Glycine 0 C--N 1.346 1.106 0 C-N-CA 123.031 0.348 . . . . 0.0 113.22 -175.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.567 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 30.5 mm-40 -76.35 156.65 33.11 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.724 0.81 . . . . 0.0 110.214 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.513 HG21 ' HD2' ' B' ' 17' ' ' ARG . 8.3 m -118.91 150.8 39.28 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.614 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 2.1 ppp? -128.66 -30.1 2.33 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.484 0.714 . . . . 0.0 111.867 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.432 ' N ' ' SD ' ' B' ' 26' ' ' MET . 3.8 p90 -141.06 154.22 45.85 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.435 0.636 . . . . 0.0 110.997 167.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.9 t -129.62 134.63 47.8 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 165.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.457 ' O ' ' HG3' ' B' ' 15' ' ' ARG . 40.3 t -95.78 177.48 5.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -173.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -91.48 1.89 56.81 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.226 0.61 . . . . 0.0 109.968 172.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 87.33 -10.87 67.4 Favored Glycine 0 C--N 1.352 1.461 0 C-N-CA 123.393 0.52 . . . . 0.0 114.285 174.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 26.7 t80 78.38 -57.99 0.45 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.843 1.657 . . . . 0.0 111.43 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -158.63 -59.3 0.07 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.29 0.636 . . . . 0.0 110.229 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.442 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -151.48 -172.03 4.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.218 1.007 . . . . 0.0 108.612 -175.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -46.87 64.1 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-N 118.93 0.786 . . . . 0.0 111.2 -177.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.57 -42.0 82.18 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.333 0.587 . . . . 0.0 110.516 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.442 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 8.2 m -67.85 -29.28 68.37 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.218 176.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.36 -46.32 64.33 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 123.631 0.772 . . . . 0.0 110.544 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.69 -51.46 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.175 0.59 . . . . 0.0 110.68 172.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -60.09 -36.29 77.06 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.691 0.62 . . . . 0.0 110.852 -178.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.464 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -60.78 -55.5 32.36 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 173.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 80.6 mt -57.11 -26.98 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.354 0.662 . . . . 0.0 111.691 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.524 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 45.0 mt-10 -65.13 -31.37 72.54 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 119.372 -0.347 . . . . 0.0 110.273 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 33.5 m -53.94 -41.19 67.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 123.61 0.569 . . . . 0.0 111.39 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.515 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.2 mm -69.42 -43.31 80.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -174.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.524 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 9.0 mmmm -61.51 -25.15 67.09 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.25 1.02 . . . . 0.0 112.685 -176.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 62.7 mmt-85 -61.38 -67.08 0.44 Allowed 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.296 0.998 . . . . 0.0 111.075 -177.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -165.13 17.94 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.539 0.336 . . . . 0.0 111.314 -168.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.515 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 22.6 t -63.97 -31.62 72.86 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -173.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.18 -29.72 69.97 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.897 0.479 . . . . 0.0 111.434 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.6 -0.31 46.29 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-O 119.436 -0.647 . . . . 0.0 113.481 177.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.68 163.09 9.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.465 0.706 . . . . 0.0 111.252 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -87.3 159.06 18.91 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 38.5 m -120.2 103.16 9.02 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.274 0.63 . . . . 0.0 109.69 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 57.6 t -97.99 132.92 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 124.245 1.018 . . . . 0.0 110.325 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.468 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 4.8 t70 -102.2 108.13 19.42 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.774 0.829 . . . . 0.0 109.81 172.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.45 -32.22 29.07 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.044 0.938 . . . . 0.0 112.369 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.678 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.3 t -81.95 -2.77 52.52 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -165.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p 50.45 -66.58 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 126.091 1.756 . . . . 0.0 114.887 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 47.3 ttm -47.61 125.2 8.09 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.931 1.292 . . . . 0.0 111.957 174.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.757 ' HA ' ' HD3' ' A' ' 35' ' ' LYS . 51.0 p -82.78 151.23 26.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.078 0.951 . . . . 0.0 111.025 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.582 ' HB3' ' H ' ' A' ' 35' ' ' LYS . . . . . . . . 0 C--O 1.247 0.967 0 C-N-CA 123.691 0.796 . . . . 0.0 109.013 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttm . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -68.05 163.55 22.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.026 0.53 . . . . 0.0 111.155 167.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' HE2' ' HG2' ' A' ' 5' ' ' GLU . 0.6 OUTLIER -165.2 -179.55 5.69 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.194 -170.077 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.44 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 96.7 m-85 -100.32 114.94 28.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.364 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' HG2' ' HE2' ' A' ' 3' ' ' LYS . 37.0 mt-10 -94.35 109.77 21.58 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.533 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 30.7 mt -94.25 113.16 28.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.331 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -175.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.712 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 22.1 p90 -136.5 161.23 36.44 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -102.06 145.85 28.74 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.446 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 28.3 t70 -78.8 160.7 27.25 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 173.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -47.53 -34.53 7.7 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.392 1.477 . . . . 0.0 112.101 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.77 9.03 1.61 Allowed 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.371 1.068 . . . . 0.0 113.022 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.27 29.37 73.19 Favored Glycine 0 C--N 1.351 1.386 0 C-N-CA 124.214 0.912 . . . . 0.0 113.14 -175.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.446 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 53.7 mt-10 -95.07 93.26 7.26 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -57.44 120.63 8.56 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 121.681 0.753 . . . . 0.0 111.961 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -136.05 171.59 14.24 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.008 1.723 . . . . 0.0 109.943 -167.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -143.15 141.65 31.24 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 114.558 -1.201 . . . . 0.0 107.861 165.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' HG2' ' HB2' ' A' ' 5' ' ' GLU . 12.2 ptm180 -117.55 148.14 42.15 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.647 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 12.3 t80 -109.79 130.42 55.52 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -98.87 -178.2 3.88 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.698 -173.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.6 161.93 33.31 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.133 0.973 . . . . 0.0 109.18 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.9 p -54.24 -30.11 49.11 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.12 0.968 . . . . 0.0 113.506 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -83.96 -15.58 47.3 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.437 0.695 . . . . 0.0 111.431 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.36 50.98 3.25 Favored Glycine 0 C--N 1.343 0.939 0 C-N-CA 122.801 0.239 . . . . 0.0 112.7 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -128.0 129.55 46.91 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.8 m -85.84 129.23 34.89 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.647 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.4 ppp? -105.12 -16.86 14.67 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.568 -175.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.613 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 9.9 p90 -157.11 164.72 37.56 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 121.92 0.867 . . . . 0.0 111.15 162.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.5 t -137.28 147.38 45.64 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 112.95 -1.932 . . . . 0.0 107.111 165.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.2 m -78.36 161.04 27.47 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -176.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -33.44 74.95 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.706 0.803 . . . . 0.0 111.046 173.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' HA3' ' HB3' ' A' ' 13' ' ' GLU . . . 114.82 51.35 0.45 Allowed Glycine 0 C--N 1.337 0.603 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.712 -171.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -16.84 -65.8 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -163.56 -66.74 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.955 0.407 . . . . 0.0 111.277 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -149.59 176.37 10.7 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.651 0.78 . . . . 0.0 109.31 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -65.12 -49.58 69.4 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.147 0.579 . . . . 0.0 109.851 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.02 71.36 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.325 0.65 . . . . 0.0 110.999 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.43 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 36.3 m -69.17 -29.74 67.8 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.8 177.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.64 -48.21 64.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.155 0.582 . . . . 0.0 110.582 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.416 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 mp -58.56 -47.08 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 122.925 0.49 . . . . 0.0 110.669 173.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -55.38 -40.03 70.87 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.565 0.746 . . . . 0.0 111.457 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -62.33 -52.02 65.3 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.935 174.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.424 ' HA ' HG12 ' A' ' 45' ' ' ILE . 61.8 mt -58.76 -28.12 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 122.594 0.358 . . . . 0.0 111.754 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 47.6 mt-10 -66.12 -33.57 76.07 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 9.3 m -56.83 -39.15 73.7 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.904 0.753 . . . . 0.0 111.693 170.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.533 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.9 mm -67.51 -41.47 85.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -176.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.0 mmmm -64.8 -24.9 67.69 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.858 -176.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 22.0 mmt180 -64.08 -54.26 36.87 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.876 -175.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -173.0 17.43 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -170.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.533 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 20.1 t -65.18 -31.86 73.25 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.62 -0.675 . . . . 0.0 112.802 -175.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -66.19 -19.38 65.81 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 172.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.83 -4.4 34.02 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.217 0.436 . . . . 0.0 113.367 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.92 139.66 56.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.884 0.873 . . . . 0.0 111.083 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -70.61 160.71 32.04 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 122.803 0.441 . . . . 0.0 111.199 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.8 m -117.63 100.12 7.42 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.187 0.595 . . . . 0.0 110.438 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.11 122.54 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.757 1.223 . . . . 0.0 109.78 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.489 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.4 t0 -100.31 112.39 24.73 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.699 0.285 . . . . 0.0 110.965 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' B' ' 5' ' ' GLU . 26.5 mt -81.11 -32.84 33.64 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.998 0.919 . . . . 0.0 111.961 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.605 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 14.6 t -89.01 -3.54 58.69 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 122.718 0.407 . . . . 0.0 111.183 -166.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.9 m -90.02 94.92 9.98 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 58.2 tpp -137.67 160.08 40.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.648 1.179 . . . . 0.0 108.801 -174.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.7 p -58.74 -48.71 80.25 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.399 0.68 . . . . 0.0 111.237 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 174.594 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ttt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -65.19 158.1 27.0 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 121.071 0.462 . . . . 0.0 111.749 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.82 179.51 7.04 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.472 -165.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.501 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 86.2 m-85 -100.21 114.59 28.14 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.671 1.188 . . . . 0.0 109.412 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 57' ' ' LEU . 34.3 mt-10 -94.6 109.24 21.17 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 34.7 mt -93.81 113.2 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 -175.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.605 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 31.2 p90 -137.11 161.83 35.04 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.478 HE21 ' HA2' ' B' ' 12' ' ' GLY . 9.5 pt20 -104.14 143.9 32.3 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 171.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.563 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 31.1 t70 -77.38 160.38 28.81 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 173.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -34.03 4.73 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.465 1.506 . . . . 0.0 112.647 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.8 9.77 2.16 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.511 1.124 . . . . 0.0 112.705 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.478 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 68.07 29.98 73.73 Favored Glycine 0 C--N 1.347 1.14 0 C-N-CA 124.04 0.828 . . . . 0.0 113.088 -176.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.563 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 67.5 mm-40 -95.05 93.78 7.58 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.72 0.408 . . . . 0.0 110.143 -175.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -58.81 120.07 8.33 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.754 0.788 . . . . 0.0 112.002 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -135.11 171.44 14.43 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.254 1.821 . . . . 0.0 109.932 -167.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -143.38 141.35 30.87 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 114.518 -1.219 . . . . 0.0 107.715 165.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -117.65 149.54 40.53 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.655 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 12.3 t80 -110.61 130.37 55.58 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -99.36 -178.19 3.83 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.523 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.1 162.17 32.84 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.217 1.007 . . . . 0.0 108.871 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 46.3 m -55.05 -29.38 57.37 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -84.69 -15.1 46.44 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.177 0.591 . . . . 0.0 111.811 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.67 50.14 3.42 Favored Glycine 0 C--N 1.341 0.861 0 C-N-CA 123.126 0.393 . . . . 0.0 112.378 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -126.13 129.72 49.62 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 27.0 m -85.54 128.04 34.63 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.449 0.699 . . . . 0.0 109.698 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.655 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.5 ppp? -104.54 -16.54 15.01 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.688 -174.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.608 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 10.7 p90 -157.43 164.54 37.36 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 121.863 0.839 . . . . 0.0 110.953 162.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -136.47 146.45 46.32 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 112.966 -1.925 . . . . 0.0 106.972 165.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -77.38 161.28 28.14 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.88 -33.41 75.24 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 173.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.56 63.42 0.34 Allowed Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.9 -169.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -47.36 -53.79 12.89 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.884 1.274 . . . . 0.0 112.525 -159.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -163.61 -67.31 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.833 0.349 . . . . 0.0 111.377 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -148.63 176.93 9.93 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.649 0.78 . . . . 0.0 109.292 -174.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -64.55 -49.83 69.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.392 0.677 . . . . 0.0 109.786 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.22 -41.93 72.69 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.42 0.688 . . . . 0.0 110.684 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 13.4 m -69.48 -29.27 66.89 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.786 0.834 . . . . 0.0 111.458 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -48.23 61.51 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.238 0.615 . . . . 0.0 110.438 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 mp -58.07 -46.79 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.124 0.57 . . . . 0.0 110.822 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -57.05 -38.97 73.97 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.438 0.695 . . . . 0.0 111.235 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -62.58 -51.92 65.44 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.79 174.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.401 ' HA ' HG12 ' B' ' 45' ' ' ILE . 66.6 mt -58.94 -28.36 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 122.65 0.38 . . . . 0.0 111.602 177.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 43.7 mt-10 -66.12 -33.2 75.25 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.319 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.448 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 18.6 m -57.25 -38.84 74.43 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.821 0.701 . . . . 0.0 111.612 170.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.519 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.0 mm -67.69 -41.21 85.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -176.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.9 mmmm -65.84 -24.39 66.88 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.772 -176.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 28.1 mmt85 -63.4 -55.19 26.37 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.126 -176.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -172.05 17.51 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -170.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.519 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 18.2 t -65.18 -31.6 72.86 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.504 -0.747 . . . . 0.0 112.675 -175.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -66.16 -19.58 65.88 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.8 -4.57 34.04 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-O 119.853 -0.415 . . . . 0.0 113.637 172.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 139.08 57.05 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.809 0.844 . . . . 0.0 111.218 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -69.8 160.86 30.96 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 122.636 0.374 . . . . 0.0 111.529 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.413 HG23 HD13 ' A' ' 42' ' ' ILE . 32.4 m -117.85 100.36 7.53 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.209 0.604 . . . . 0.0 110.12 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 80.1 t -101.66 122.55 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.644 1.178 . . . . 0.0 109.756 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.533 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 10.2 t70 -100.44 112.4 24.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.566 0.346 . . . . 0.0 110.79 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.437 ' HB3' ' HB2' ' B' ' 62' ' ' ALA . 5.8 mp -82.59 -35.32 27.18 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.407 1.083 . . . . 0.0 112.078 177.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.712 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.1 t -77.53 -13.33 59.94 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -161.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 66.1 p -114.28 -0.73 13.78 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 118.154 0.433 . . . . 0.0 110.821 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 91.9 mtp -105.2 -79.83 0.55 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 173.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 6.7 m -153.66 140.24 18.85 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' B' ' 57' ' ' LEU . . . . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 124.956 1.302 . . . . 0.0 107.523 -177.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttm . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.34 157.39 19.92 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.445 0.64 . . . . 0.0 111.887 171.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -159.9 177.01 11.23 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.951 -167.725 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 97.5 m-85 -103.54 114.36 28.57 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.2 1.0 . . . . 0.0 109.893 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -95.45 110.11 22.2 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -98.29 130.56 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.626 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 44.9 p90 -144.87 178.48 7.99 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.967 0.507 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -121.07 146.84 46.31 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 167.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.551 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.1 t70 -101.41 -176.35 3.12 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -42.32 -37.69 1.6 Allowed 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 126.789 2.036 . . . . 0.0 114.569 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.644 ' HB3' ' HG3' ' A' ' 13' ' ' GLU . . . -98.68 18.93 15.68 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.93 0.892 . . . . 0.0 110.744 -174.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.27 30.57 76.98 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.728 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.644 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 37.3 mt-10 -80.86 91.71 6.01 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.996 0.518 . . . . 0.0 109.985 -172.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -55.08 106.9 0.25 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 122.779 1.276 . . . . 0.0 112.166 172.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.551 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 77.0 mtt180 -127.09 174.76 8.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 111.87 -2.423 . . . . 0.0 108.548 -175.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -163.18 166.53 23.23 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.093 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 9.2 ptp180 -144.0 171.2 14.59 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 124.334 1.021 . . . . 0.0 111.344 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -126.6 135.25 50.98 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -98.16 -178.27 4.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.725 -175.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.521 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . . . -135.05 162.03 33.63 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.376 174.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.7 m -47.67 -30.48 3.8 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.977 1.311 . . . . 0.0 114.454 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -85.41 3.68 38.92 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.608 0.763 . . . . 0.0 112.456 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.17 30.07 67.89 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 122.819 0.247 . . . . 0.0 112.775 -172.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.521 ' HG3' ' HB3' ' A' ' 20' ' ' ALA . 10.2 pt-20 -106.22 143.43 34.35 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.739 0.815 . . . . 0.0 109.106 177.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 m -98.92 140.93 32.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.188 0.595 . . . . 0.0 109.716 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.443 ' SD ' ' CD1' ' A' ' 27' ' ' PHE . 2.0 ppp? -113.83 -22.29 10.24 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.976 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.443 ' CD1' ' SD ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -158.89 163.92 36.15 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 162.246 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 t -168.69 173.55 7.21 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 125.186 1.554 . . . . 0.0 110.224 -173.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m 60.0 62.27 1.69 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 162.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.71 -57.45 3.85 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 163.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.66 56.5 3.11 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -169.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -72.2 -60.65 2.13 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.292 0.637 . . . . 0.0 110.074 -165.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -170.09 -72.96 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.08 0.552 . . . . 0.0 111.1 175.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.6 173.09 12.03 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.874 0.87 . . . . 0.0 109.052 -172.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -64.51 -47.17 79.87 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.919 0.487 . . . . 0.0 110.411 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.74 87.65 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.685 0.394 . . . . 0.0 110.38 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 m -67.68 -31.0 70.67 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.936 0.894 . . . . 0.0 110.165 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.44 -49.54 63.24 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.09 0.956 . . . . 0.0 110.294 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.2 -45.68 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.346 0.658 . . . . 0.0 111.099 175.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -60.27 -40.2 89.52 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.295 0.569 . . . . 0.0 111.025 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.455 ' O ' ' HE3' ' B' ' 26' ' ' MET . . . -57.13 -54.24 49.01 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.736 172.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.63 -27.76 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.891 0.876 . . . . 0.0 112.119 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.488 ' HA ' ' HG2' ' A' ' 46' ' ' LYS . 45.6 mt-10 -62.59 -30.58 71.44 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.608 0.363 . . . . 0.0 110.936 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.51 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 7.9 m -55.07 -39.39 69.22 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 168.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 5.8 mm -68.82 -46.48 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -174.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.513 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 8.1 mmmm -58.79 -26.55 64.18 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 114.504 -1.226 . . . . 0.0 112.591 -174.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.51 ' HE ' ' HA ' ' A' ' 44' ' ' SER . 70.8 mtm180 -61.28 -58.61 7.58 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.348 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -174.09 18.04 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -166.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.551 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.9 t -65.15 -33.58 76.35 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 121.461 -0.774 . . . . 0.0 112.024 -176.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -58.82 -34.16 71.2 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.819 170.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.05 -1.14 61.44 Favored Glycine 0 CA--C 1.538 1.507 0 CA-C-O 119.629 -0.539 . . . . 0.0 114.359 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.39 163.91 19.75 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.512 0.725 . . . . 0.0 111.533 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -88.87 158.21 18.17 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.4 m -120.06 105.13 10.72 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.144 0.578 . . . . 0.0 110.286 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 t -110.22 125.93 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 124.957 1.303 . . . . 0.0 110.067 -174.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -103.78 125.14 50.03 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.653 0.781 . . . . 0.0 110.801 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.1 mt -100.7 -23.05 14.72 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 125.118 1.367 . . . . 0.0 113.299 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.621 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 3.4 t -80.84 -26.95 36.66 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -165.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.441 HG22 ' HE2' ' B' ' 35' ' ' LYS . 45.6 p -78.73 -28.16 44.94 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -175.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 tpt -79.89 -37.7 34.18 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.651 -178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.7 p -68.18 109.47 3.58 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.967 0.413 . . . . 0.0 111.01 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.018 0 C-N-CA 124.05 0.94 . . . . 0.0 108.888 -174.805 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.8 ttm . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.85 164.79 22.94 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.185 0.594 . . . . 0.0 111.638 171.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.39 178.31 7.56 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.696 -168.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' B' ' 17' ' ' ARG . 98.6 m-85 -102.82 114.56 28.92 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.48 1.112 . . . . 0.0 109.829 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -96.9 110.35 22.88 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.5 mt -98.61 129.87 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.757 0.823 . . . . 0.0 109.026 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.621 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 37.2 p90 -144.33 178.41 7.94 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 122.956 0.502 . . . . 0.0 110.156 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -121.04 146.53 46.62 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 166.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.596 ' HB2' ' HD2' ' B' ' 15' ' ' ARG . 5.9 t70 -101.09 -177.02 3.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 119.102 -0.475 . . . . 0.0 109.802 -173.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -41.8 -38.17 1.43 Allowed 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 127.069 2.148 . . . . 0.0 114.675 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.646 ' HB3' ' HG3' ' B' ' 13' ' ' GLU . . . -97.71 18.99 14.38 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.848 0.859 . . . . 0.0 111.037 -175.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.84 30.82 77.98 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.96 -169.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.646 ' HG3' ' HB3' ' B' ' 11' ' ' ALA . 37.8 mt-10 -81.15 92.49 6.29 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.804 0.442 . . . . 0.0 110.07 -172.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -55.68 107.04 0.3 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.656 1.217 . . . . 0.0 111.997 172.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.596 ' HD2' ' HB2' ' B' ' 9' ' ' ASP . 85.1 mtt180 -127.11 175.32 8.21 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 111.609 -2.542 . . . . 0.0 109.231 -175.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -164.36 166.73 20.46 Favored 'General case' 0 C--O 1.247 0.923 0 C-N-CA 124.543 1.137 . . . . 0.0 109.299 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 13.7 ptt180 -144.38 170.27 16.33 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.4 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -125.9 134.95 51.42 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 171.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -98.5 -178.55 4.05 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.663 -175.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.44 160.7 37.19 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.52 1.128 . . . . 0.0 108.369 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.0 m -46.55 -31.13 2.59 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -85.46 4.95 33.28 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.507 0.723 . . . . 0.0 112.863 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.01 30.09 70.24 Favored Glycine 0 C--N 1.347 1.14 0 C-N-CA 123.22 0.438 . . . . 0.0 112.674 -173.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -105.0 144.27 32.04 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.778 0.831 . . . . 0.0 108.944 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -100.41 140.85 34.07 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.455 ' HE3' ' O ' ' A' ' 41' ' ' ALA . 1.9 ppp? -114.25 -22.37 9.98 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.978 -176.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.415 ' CD1' ' SD ' ' B' ' 26' ' ' MET . 0.0 OUTLIER -158.96 164.32 35.7 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 161.214 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.2 t -168.29 174.1 7.3 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.361 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.0 m 59.48 61.59 1.97 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 162.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -57.19 4.05 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.073 161.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.08 56.94 3.12 Favored Glycine 0 C--N 1.352 1.419 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -168.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -72.5 -60.29 2.31 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 122.791 0.437 . . . . 0.0 110.311 -165.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -169.88 -72.96 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.643 0.589 . . . . 0.0 111.241 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.5 173.84 11.23 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.946 0.898 . . . . 0.0 109.279 -172.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.507 ' HD2' ' H ' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -66.23 -45.01 82.15 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.331 0.514 . . . . 0.0 110.384 -179.453 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.435 ' N ' ' HG2' ' B' ' 35' ' ' LYS . . . -60.88 -41.97 97.04 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.742 0.417 . . . . 0.0 110.316 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.9 m -66.11 -30.74 71.3 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.852 177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.6 -49.91 60.81 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 124.059 0.943 . . . . 0.0 110.582 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mp -56.66 -46.88 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.15 0.58 . . . . 0.0 110.996 174.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 63.9 m-70 -60.62 -39.2 87.34 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.977 0.511 . . . . 0.0 111.518 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.442 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -57.8 -53.74 54.81 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.832 171.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.51 HG22 ' HD3' ' B' ' 46' ' ' LYS . 71.6 mt -57.51 -27.96 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.876 0.87 . . . . 0.0 111.916 176.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 54.3 mm-40 -61.93 -31.6 71.93 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.913 0.485 . . . . 0.0 110.579 177.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m -55.35 -39.22 69.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 123.449 0.468 . . . . 0.0 112.199 169.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.548 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.6 mm -68.53 -46.21 80.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 123.617 0.573 . . . . 0.0 109.497 -175.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.2 mmmm -59.12 -26.26 64.55 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.207 -174.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 35.2 mmt-85 -62.49 -57.02 12.71 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 114.478 -1.237 . . . . 0.0 112.135 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -175.32 17.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -165.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.548 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 27.9 t -65.35 -33.47 76.05 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.437 -0.789 . . . . 0.0 111.947 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -59.4 -32.99 70.67 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.85 171.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.05 -0.9 59.82 Favored Glycine 0 CA--C 1.536 1.38 0 CA-C-O 119.727 -0.485 . . . . 0.0 114.108 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.15 162.96 21.27 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.708 0.803 . . . . 0.0 111.58 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.422 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 18.7 t70 -87.39 157.36 19.26 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.886 0.474 . . . . 0.0 110.203 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.3 m -119.44 104.49 10.38 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.351 0.66 . . . . 0.0 109.834 176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 7.5 p -110.01 126.46 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 124.672 1.189 . . . . 0.0 110.903 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -103.75 125.55 50.29 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.346 0.658 . . . . 0.0 111.531 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -101.16 -20.73 15.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.85 1.26 . . . . 0.0 112.46 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.626 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.6 t -84.59 -8.55 58.86 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -169.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 50.6 p -115.1 9.52 15.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.689 -0.632 . . . . 0.0 109.464 172.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 44.7 ttp -139.24 93.14 2.65 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 32.0 p -50.03 109.35 0.28 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.165 0.986 . . . . 0.0 113.021 -164.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 C-N-CA 124.603 1.161 . . . . 0.0 108.38 -175.147 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.1 ttp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.43 163.28 27.06 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.316 0.579 . . . . 0.0 111.939 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.75 -179.63 5.98 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.788 -168.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 92.6 m-85 -100.91 121.33 41.55 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.339 1.056 . . . . 0.0 109.356 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -99.68 109.9 22.34 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.544 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 32.9 mt -96.23 119.45 44.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -176.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.698 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 50.2 p90 -141.25 169.38 17.71 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.516 HE21 ' HA2' ' A' ' 12' ' ' GLY . 12.9 pt20 -112.43 147.74 35.82 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 170.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.636 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 16.6 t70 -76.24 160.25 29.86 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 171.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -33.76 38.28 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.995 0.918 . . . . 0.0 112.013 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.71 7.84 1.36 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.826 1.25 . . . . 0.0 112.55 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.516 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 69.57 29.06 71.62 Favored Glycine 0 C--N 1.343 0.959 0 C-N-CA 124.328 0.966 . . . . 0.0 113.017 -176.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.636 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 28.4 mm-40 -92.5 88.06 6.21 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -174.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -58.34 129.57 42.64 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.422 0.629 . . . . 0.0 111.738 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.476 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 91.8 mtt180 -152.88 178.22 9.9 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.23 1.812 . . . . 0.0 109.8 -169.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -151.1 156.09 40.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.902 -1.045 . . . . 0.0 108.951 173.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -129.32 158.9 37.8 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 174.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.52 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 13.9 t80 -115.18 132.36 56.63 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 177.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -98.45 -179.37 4.32 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.469 -171.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -135.22 157.94 45.63 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 125.173 1.389 . . . . 0.0 107.627 174.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 m -36.51 -42.43 0.34 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -174.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -89.86 17.14 7.01 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.61 19.25 79.35 Favored Glycine 0 N--CA 1.47 0.925 0 N-CA-C 112.8 -0.12 . . . . 0.0 112.8 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.57 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 20.5 mt-10 -81.3 155.59 25.96 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.873 0.869 . . . . 0.0 108.762 177.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.5 m -117.29 138.76 51.54 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.742 ' HE1' ' HD2' ' A' ' 27' ' ' PHE . 1.6 ppp? -114.13 -18.69 11.6 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.456 0.703 . . . . 0.0 112.028 -176.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.742 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 10.9 p90 -154.35 160.9 41.95 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.345 0.593 . . . . 0.0 111.309 162.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -124.93 132.79 53.24 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 113.706 -1.588 . . . . 0.0 107.313 169.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -94.6 167.17 11.64 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.696 0.76 . . . . 0.0 111.712 -169.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -74.3 -20.72 60.03 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.468 169.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.476 ' HA3' ' HA ' ' A' ' 15' ' ' ARG . . . 81.37 -9.29 55.46 Favored Glycine 0 C--N 1.358 1.751 0 N-CA-C 115.661 1.024 . . . . 0.0 115.661 174.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 62.6 t80 82.08 -62.13 0.16 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.374 1.47 . . . . 0.0 109.71 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -163.49 -70.04 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.941 0.496 . . . . 0.0 111.051 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.487 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -124.15 177.28 5.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.793 0.837 . . . . 0.0 109.093 -169.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HD3' ' H ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -70.14 -42.82 72.06 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.721 0.691 . . . . 0.0 110.664 -179.449 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.99 -42.81 90.9 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.1 0.476 . . . . 0.0 110.366 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.487 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 12.2 m -67.67 -29.37 68.63 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.269 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.63 -44.81 66.42 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 123.63 0.772 . . . . 0.0 110.565 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 mp -57.08 -45.54 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 122.995 0.518 . . . . 0.0 110.478 171.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -59.66 -38.45 81.48 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.298 0.639 . . . . 0.0 110.903 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.38 -53.94 50.12 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.414 172.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.462 ' HA ' HG12 ' A' ' 45' ' ' ILE . 71.1 mt -59.14 -25.69 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 122.978 0.511 . . . . 0.0 111.525 178.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 43.7 mt-10 -65.15 -38.04 89.32 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -53.9 -38.67 65.05 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.037 0.836 . . . . 0.0 111.711 172.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.582 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.4 mm -68.18 -43.54 84.86 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 O-C-N 123.841 0.713 . . . . 0.0 109.214 -175.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 11.3 mmmm -62.37 -27.47 69.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.898 -1.046 . . . . 0.0 113.069 -175.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 43' ' ' GLU . 62.2 mtt85 -71.95 -52.35 17.59 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.532 -173.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.401 ' ND2' ' SD ' ' B' ' 1' ' ' MET . 64.5 t30 -166.98 17.06 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -170.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 18.7 t -67.19 -33.23 74.96 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 121.528 -0.733 . . . . 0.0 112.262 -178.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.599 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -64.92 -24.16 67.44 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 122.771 0.428 . . . . 0.0 111.596 172.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.97 -4.43 48.16 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 113.54 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.11 170.52 3.58 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.85 0.86 . . . . 0.0 111.331 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -99.5 157.86 16.14 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -113.09 109.38 18.72 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.606 0.762 . . . . 0.0 109.342 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.2 121.85 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.248 1.419 . . . . 0.0 109.058 -172.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.512 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.6 p-10 -103.03 110.06 21.84 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.294 0.569 . . . . 0.0 111.065 175.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.0 mt -78.08 -26.87 48.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.092 0.957 . . . . 0.0 112.457 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.722 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 5.4 t -71.96 -11.67 60.88 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -165.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.6 p -93.25 -16.99 24.17 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 122.831 0.452 . . . . 0.0 110.302 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.436 ' HG2' HG23 ' A' ' 61' ' ' THR . 45.3 ttp -98.03 -59.32 1.78 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.884 0.874 . . . . 0.0 108.951 176.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.436 HG23 ' HG2' ' A' ' 60' ' ' MET . 31.0 p -141.57 127.01 18.78 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.51 1.124 . . . . 0.0 109.529 -177.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 175.645 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.401 ' SD ' ' ND2' ' A' ' 48' ' ' ASN . 47.5 ttm . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.43 161.95 29.57 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.501 0.667 . . . . 0.0 111.482 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.23 -179.02 4.84 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.859 -166.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.457 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 97.3 m-85 -100.69 121.12 41.12 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.333 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -99.5 109.72 22.24 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.512 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 29.5 mt -96.1 119.57 44.34 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -176.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.722 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 14.9 p90 -141.58 169.12 18.19 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.509 HE21 ' HA2' ' B' ' 12' ' ' GLY . 11.3 pt20 -111.76 148.39 33.61 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 170.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.485 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 22.5 t70 -76.81 160.65 29.1 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 171.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -33.54 40.86 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.026 0.93 . . . . 0.0 111.924 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.426 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . . . -72.62 8.59 1.38 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 124.726 1.21 . . . . 0.0 112.668 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.509 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 69.52 29.32 71.58 Favored Glycine 0 C--N 1.346 1.11 0 C-N-CA 124.297 0.951 . . . . 0.0 112.884 -176.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.485 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 11.8 mm-40 -93.03 87.82 5.89 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -174.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.42 ' CD1' ' HB3' ' B' ' 35' ' ' LYS . 68.2 m-85 -58.05 131.59 50.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.651 0.739 . . . . 0.0 112.088 177.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.441 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 14.4 ptp180 -156.04 176.84 12.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 113.584 -1.644 . . . . 0.0 110.13 -168.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -150.07 156.36 41.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.965 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -128.85 159.48 35.63 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.491 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 14.4 t80 -116.04 132.58 56.61 Favored 'General case' 0 C--O 1.243 0.745 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -98.53 -179.73 4.42 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.453 -171.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -135.18 157.75 46.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.133 1.373 . . . . 0.0 107.784 174.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 56.3 p -35.66 -42.73 0.25 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -175.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.79 16.09 8.64 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.432 0.693 . . . . 0.0 112.668 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.91 18.81 79.34 Favored Glycine 0 C--N 1.344 1.019 0 N-CA-C 112.7 -0.16 . . . . 0.0 112.7 -175.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.589 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 12.6 mm-40 -80.02 156.02 27.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.892 0.877 . . . . 0.0 109.023 176.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 63.4 m -118.06 138.41 52.25 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.635 ' HE1' ' HD1' ' B' ' 27' ' ' PHE . 1.4 ppp? -113.89 -17.87 11.92 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.363 0.665 . . . . 0.0 111.975 -176.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.635 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 15.8 p90 -156.82 160.56 39.32 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.473 0.654 . . . . 0.0 111.682 162.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.9 m -124.03 132.79 53.73 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 113.484 -1.689 . . . . 0.0 106.947 171.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -93.37 166.99 12.01 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.784 0.802 . . . . 0.0 111.719 -169.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -75.21 -20.52 59.23 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 113.826 -1.534 . . . . 0.0 109.332 168.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' B' ' 15' ' ' ARG . . . 81.9 -9.4 56.74 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 115.38 0.912 . . . . 0.0 115.38 173.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 63.2 t80 82.11 -62.51 0.16 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.447 1.499 . . . . 0.0 109.469 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -163.44 -69.8 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.03 0.532 . . . . 0.0 111.178 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.453 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -124.13 177.34 5.87 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.913 0.885 . . . . 0.0 109.057 -169.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' B' ' 36' ' ' ALA . 2.7 pptp? -70.14 -42.46 72.51 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 118.981 0.81 . . . . 0.0 110.763 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.447 ' N ' ' HD2' ' B' ' 35' ' ' LYS . . . -59.06 -43.13 91.68 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.904 0.481 . . . . 0.0 110.213 175.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.453 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 5.3 m -67.4 -29.77 69.36 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.11 176.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.75 -44.64 66.36 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.421 0.688 . . . . 0.0 110.572 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -56.92 -46.14 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.0 0.52 . . . . 0.0 110.414 171.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -58.46 -39.16 79.12 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.282 0.633 . . . . 0.0 111.218 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.98 -54.06 49.54 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.486 172.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.491 HG22 ' HD3' ' B' ' 46' ' ' LYS . 74.2 mt -59.08 -26.11 32.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 123.023 0.529 . . . . 0.0 111.367 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.556 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 41.3 mt-10 -64.36 -38.55 91.44 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 37.9 m -53.81 -38.51 64.64 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 124.135 0.897 . . . . 0.0 111.531 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.575 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.5 mm -68.27 -43.39 84.62 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 123.901 0.75 . . . . 0.0 109.357 -175.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.3 mmmm -63.59 -26.08 68.53 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.547 -174.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 14.2 mmt180 -72.99 -51.74 17.12 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.143 -0.935 . . . . 0.0 112.289 -173.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -167.11 16.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -170.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.575 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 20.4 t -67.13 -33.53 75.65 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.228 -0.92 . . . . 0.0 112.208 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.93 -23.9 67.36 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.679 0.392 . . . . 0.0 111.673 172.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.69 -4.46 48.99 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.674 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.87 170.7 3.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.853 0.861 . . . . 0.0 111.395 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.47 158.03 16.21 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.4 m -113.12 109.33 18.62 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.336 0.654 . . . . 0.0 109.369 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 52.2 t -118.09 122.26 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.913 1.285 . . . . 0.0 108.976 -173.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.544 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 9.3 p-10 -102.94 110.37 22.26 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.37 0.605 . . . . 0.0 111.024 175.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.81 -22.71 49.62 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.615 1.166 . . . . 0.0 111.717 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.698 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.0 t -93.56 10.9 30.67 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.974 -171.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.6 m -30.37 -52.39 0.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.334 1.854 . . . . 0.0 114.486 -173.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 23.3 mmt -75.72 78.78 2.67 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 168.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 60.9 p -76.8 126.98 31.89 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.486 -170.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.391 177.178 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.8 ttm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.14 164.41 25.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-O 121.213 0.53 . . . . 0.0 111.344 173.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.584 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -164.34 177.63 8.11 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.24 -165.177 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 95.8 m-85 -100.84 112.02 24.35 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.776 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.455 ' HB2' ' HG2' ' A' ' 17' ' ' ARG . 67.1 mt-10 -93.06 105.6 17.68 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 mt -99.41 120.04 48.24 Favored 'Isoleucine or valine' 0 C--N 1.345 0.37 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -175.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.536 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.0 p90 -141.1 -177.97 5.36 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -122.85 150.28 43.08 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -89.32 165.08 14.62 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 124.633 1.173 . . . . 0.0 109.299 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -45.11 -37.01 3.98 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 126.049 1.74 . . . . 0.0 112.511 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.98 10.66 2.17 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.912 0.885 . . . . 0.0 112.303 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.34 33.44 87.24 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 124.645 1.117 . . . . 0.0 112.668 -176.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -108.03 119.21 38.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.551 0.34 . . . . 0.0 110.502 -172.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.74 124.72 29.28 Favored 'General case' 0 C--N 1.345 0.377 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 42.4 mtt180 -139.92 137.59 34.92 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.798 1.239 . . . . 0.0 108.247 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.413 ' CD1' ' HA2' ' A' ' 31' ' ' GLY . 49.7 p90 -108.76 166.31 10.9 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 121.546 0.688 . . . . 0.0 109.256 170.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HD2' ' HE1' ' A' ' 7' ' ' TYR . 3.1 ptm180 -139.17 162.18 35.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.009 174.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.513 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 20.0 t80 -119.11 133.5 55.75 Favored 'General case' 0 C--O 1.245 0.863 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 173.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -102.19 -179.02 3.87 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.006 -171.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.23 172.67 10.81 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 125.611 1.564 . . . . 0.0 107.426 174.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.2 p -69.41 -32.68 71.83 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 118.981 0.81 . . . . 0.0 111.313 -161.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -92.45 16.92 10.8 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.582 0.753 . . . . 0.0 111.592 -178.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.43 19.92 63.26 Favored Glycine 0 C--N 1.346 1.12 0 N-CA-C 114.515 0.566 . . . . 0.0 114.515 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -83.62 154.18 23.88 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.033 0.533 . . . . 0.0 109.608 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 m -115.42 151.14 35.26 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.513 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 2.2 ppp? -127.02 -32.66 2.51 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.468 0.707 . . . . 0.0 112.222 -175.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.534 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 1.3 p90 -144.16 158.72 43.56 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.915 0.325 . . . . 0.0 110.166 168.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.8 t -163.33 -176.92 5.02 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 m 92.37 -23.02 0.07 Allowed 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 148.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.583 ' HG3' ' H ' ' B' ' 28' ' ' SER . 30.0 mm-40 -76.97 -88.21 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.05 0.841 . . . . 0.0 111.862 176.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 15' ' ' ARG . . . 82.29 0.69 90.01 Favored Glycine 0 N--CA 1.476 1.345 0 CA-C-O 119.864 -0.409 . . . . 0.0 113.619 -171.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 t80 73.16 -65.22 0.37 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.914 1.685 . . . . 0.0 111.901 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -152.95 -56.06 0.12 Allowed 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 120.925 0.393 . . . . 0.0 110.751 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.474 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -141.11 -174.14 3.92 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.241 1.017 . . . . 0.0 108.747 -175.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -62.71 -46.19 89.25 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 118.644 0.656 . . . . 0.0 110.571 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.02 -47.64 68.17 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.22 0.608 . . . . 0.0 111.041 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.474 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 11.8 m -71.23 -27.17 63.28 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.397 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.95 -55.0 21.73 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 123.711 0.804 . . . . 0.0 110.236 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.407 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.3 mp -55.86 -47.83 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 123.349 0.66 . . . . 0.0 111.234 175.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -55.72 -44.21 77.27 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.876 0.47 . . . . 0.0 111.317 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.36 -54.67 44.22 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.096 173.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.4 mt -56.18 -30.0 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.171 0.589 . . . . 0.0 111.904 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 44.2 mt-10 -64.27 -33.07 74.97 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.701 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.9 m -53.57 -41.18 66.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 123.573 0.546 . . . . 0.0 111.473 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.576 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.2 mm -69.1 -45.68 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.212 -174.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 8.6 mmmm -61.88 -24.59 67.03 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.027 -176.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 37.3 mmt180 -65.37 -57.96 7.07 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 123.764 0.665 . . . . 0.0 111.67 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -167.74 16.17 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -166.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.576 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.6 t -67.73 -32.77 73.62 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.262 -0.899 . . . . 0.0 112.927 -172.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.61 -30.41 71.33 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 122.577 0.351 . . . . 0.0 111.707 172.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.08 -0.05 57.31 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 115.867 -0.606 . . . . 0.0 113.774 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.04 167.71 7.52 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.572 0.749 . . . . 0.0 111.548 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.62 ' HB3' ' HB3' ' B' ' 3' ' ' LYS . 32.9 t70 -88.83 156.59 18.85 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.6 m -125.28 116.41 21.91 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.19 136.58 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.135 0.974 . . . . 0.0 110.981 -171.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -100.28 114.26 27.59 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.967 0.907 . . . . 0.0 109.748 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -79.27 -18.28 53.04 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.518 1.127 . . . . 0.0 110.926 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.599 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 7.3 t -89.56 11.53 19.31 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.876 0.87 . . . . 0.0 111.629 -174.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 p -76.01 -48.3 21.56 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 170.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.0 ttt -96.02 88.66 4.94 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 160.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 p -55.42 116.5 2.89 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.336 0.654 . . . . 0.0 111.74 -173.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 C-N-CA 124.205 1.002 . . . . 0.0 109.188 -178.862 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 45.2 ttm . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.59 161.01 24.09 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.218 0.532 . . . . 0.0 111.366 174.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -160.55 176.76 11.23 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.075 -165.24 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.411 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 92.7 m-85 -100.8 111.82 24.12 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.834 178.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -93.11 105.84 17.88 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mt -99.92 119.89 48.6 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.599 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 24.7 p90 -140.98 -178.86 5.76 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -121.33 149.82 42.37 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 168.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.437 ' HB2' ' HD3' ' B' ' 15' ' ' ARG . 32.8 t70 -89.3 165.7 14.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.515 1.126 . . . . 0.0 109.463 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -45.88 -36.37 5.29 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.992 1.717 . . . . 0.0 112.603 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.42 10.55 2.48 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.973 0.909 . . . . 0.0 112.079 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.56 33.2 86.59 Favored Glycine 0 C--N 1.347 1.169 0 C-N-CA 124.401 1.001 . . . . 0.0 113.004 -175.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.402 ' O ' ' HD2' ' B' ' 15' ' ' ARG . 47.3 mt-10 -108.24 109.26 20.58 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 122.463 0.305 . . . . 0.0 110.637 -172.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -64.83 124.42 21.94 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.368 0.604 . . . . 0.0 112.532 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.498 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 0.0 OUTLIER -141.94 139.36 32.47 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 113.828 -1.533 . . . . 0.0 109.711 177.649 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -108.75 166.44 10.8 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-O 121.767 0.794 . . . . 0.0 109.583 171.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -139.6 162.34 35.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.605 -1.634 . . . . 0.0 109.489 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.519 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.9 t80 -119.16 133.09 55.98 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 173.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -101.96 -178.86 3.83 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.117 -171.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.14 161.5 29.92 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.685 1.594 . . . . 0.0 107.547 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 75.3 p -49.72 -38.3 32.85 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -94.34 17.27 13.18 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 122.8 0.44 . . . . 0.0 110.801 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.56 19.54 61.78 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 114.528 0.571 . . . . 0.0 114.528 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -83.9 154.42 23.43 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -114.81 151.26 34.14 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.519 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 2.2 ppp? -127.41 -32.7 2.41 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.595 0.758 . . . . 0.0 112.258 -176.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.426 ' HD2' ' HE1' ' B' ' 26' ' ' MET . 1.9 p90 -144.36 158.83 43.54 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 118.06 0.391 . . . . 0.0 110.163 168.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.583 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 33.2 m -162.82 -177.4 5.5 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.824 1.25 . . . . 0.0 111.16 -174.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 43.5 t 93.41 -23.87 0.05 Allowed 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 147.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -77.49 -87.89 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 118.687 0.676 . . . . 0.0 111.358 178.02 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' B' ' 15' ' ' ARG . . . 80.95 2.02 90.14 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-O 120.004 -0.331 . . . . 0.0 113.534 -171.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 t80 72.48 -64.71 0.38 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 126.083 1.753 . . . . 0.0 112.067 174.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -153.47 -56.54 0.12 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.008 0.523 . . . . 0.0 110.624 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.457 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -140.98 -174.17 3.92 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.203 1.001 . . . . 0.0 108.801 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -61.96 -46.7 88.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.662 0.785 . . . . 0.0 110.245 178.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.16 -47.35 68.86 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.465 0.706 . . . . 0.0 110.968 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.457 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 5.8 m -72.68 -26.8 61.76 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.084 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -54.75 24.51 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 123.536 0.734 . . . . 0.0 109.957 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.76 -47.85 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.555 0.742 . . . . 0.0 111.194 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -56.16 -43.44 78.32 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 123.57 0.544 . . . . 0.0 111.152 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.447 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -58.16 -54.56 45.56 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.034 174.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 65.4 mt -55.78 -30.59 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 123.342 0.657 . . . . 0.0 111.737 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 42.6 mt-10 -63.45 -33.76 76.28 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 119.073 -0.489 . . . . 0.0 110.471 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 37.9 m -53.39 -41.27 65.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 123.739 0.649 . . . . 0.0 111.509 170.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.0 mm -69.24 -45.51 79.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.191 -174.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.7 mmmm -63.05 -23.26 67.37 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.694 -176.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 22.8 mmm180 -66.67 -57.76 6.52 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.5 0.5 . . . . 0.0 111.545 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -166.94 16.51 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -166.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.568 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 20.2 t -67.31 -33.1 74.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.527 -0.733 . . . . 0.0 112.821 -172.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.47 -30.86 71.56 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.576 0.35 . . . . 0.0 111.593 172.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.0 0.56 57.53 Favored Glycine 0 C--N 1.351 1.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 113.826 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.29 167.59 8.18 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.575 0.75 . . . . 0.0 111.555 176.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.584 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 26.0 t70 -88.83 156.61 18.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.097 0.559 . . . . 0.0 109.637 175.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 47.2 m -125.3 116.55 22.11 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.7 p -130.98 137.73 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.106 0.962 . . . . 0.0 110.93 -171.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.3 116.04 31.82 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.393 0.677 . . . . 0.0 109.978 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.61 -24.35 36.47 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.418 1.087 . . . . 0.0 112.362 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.536 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.5 t -88.22 16.73 5.84 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 120.011 1.278 . . . . 0.0 111.187 -170.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 36.6 p -123.63 19.29 9.53 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.481 1.112 . . . . 0.0 109.296 172.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 49.3 ttp -150.68 -61.28 0.19 Allowed 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 46.6 p -96.55 118.14 32.42 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.805 0.842 . . . . 0.0 109.809 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.372 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.852 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 ttm . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -61.22 162.98 6.79 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.502 0.721 . . . . 0.0 112.082 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.17 179.29 6.98 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.103 -163.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -103.46 109.77 21.55 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.527 1.131 . . . . 0.0 109.035 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.465 ' HB2' ' CG ' ' A' ' 17' ' ' ARG . 35.1 mt-10 -94.93 107.8 19.84 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.438 -178.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.495 ' HA ' ' HB3' ' A' ' 16' ' ' PHE . 24.6 mt -96.17 126.1 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.041 0.936 . . . . 0.0 109.042 -172.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.65 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.0 p90 -140.49 179.97 6.36 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.263 0.554 . . . . 0.0 109.711 177.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -117.33 141.54 48.19 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 162.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.677 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.4 t70 -90.81 169.36 11.0 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -176.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -41.17 -37.54 0.92 Allowed 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 126.376 1.871 . . . . 0.0 113.211 -177.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.45 11.63 1.53 Allowed 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 124.166 0.986 . . . . 0.0 112.852 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.96 25.78 64.61 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 123.528 0.585 . . . . 0.0 112.695 -172.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -105.5 133.83 49.61 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -170.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -88.22 114.38 24.78 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.831 0.824 . . . . 0.0 109.723 -166.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.677 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 97.9 mtt180 -135.77 138.19 42.39 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.209 -1.814 . . . . 0.0 109.268 -171.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.495 ' HB3' ' HA ' ' A' ' 6' ' ' ILE . 32.1 p90 -124.02 169.21 11.88 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.226 0.61 . . . . 0.0 110.564 174.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' CG ' ' HB2' ' A' ' 5' ' ' GLU . 8.3 ptm180 -127.51 159.94 33.03 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.767 178.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -118.77 130.64 55.91 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 167.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -98.82 -177.79 3.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.574 -1.193 . . . . 0.0 110.811 -174.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.441 ' HB3' ' HG3' ' A' ' 24' ' ' GLU . . . -138.46 164.33 29.66 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.475 1.11 . . . . 0.0 108.064 173.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -51.85 -31.41 27.65 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -176.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -75.75 -9.54 58.68 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.838 0.855 . . . . 0.0 111.818 -178.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.02 45.6 10.21 Favored Glycine 0 C--N 1.341 0.821 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -173.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.441 ' HG3' ' HB3' ' A' ' 20' ' ' ALA . 7.7 pt-20 -125.12 142.23 51.62 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.998 0.919 . . . . 0.0 109.063 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 m -96.62 131.06 43.65 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.532 0.733 . . . . 0.0 109.703 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.477 ' HB2' ' HE2' ' A' ' 26' ' ' MET . 1.0 OUTLIER -108.69 -17.95 13.83 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.283 -176.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' HD2' ' HG2' ' B' ' 30' ' ' GLU . 0.0 OUTLIER -163.68 165.84 22.85 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 160.122 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.7 p -178.31 172.52 1.51 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 114.469 -1.241 . . . . 0.0 111.278 -170.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m 64.63 24.21 12.94 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 165.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.506 ' HG2' ' HD2' ' B' ' 27' ' ' PHE . 0.0 OUTLIER -52.7 -36.33 57.08 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.398 1.079 . . . . 0.0 111.437 170.135 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.49 55.5 20.27 Favored Glycine 0 C--N 1.36 1.87 0 CA-C-O 119.262 -0.743 . . . . 0.0 112.598 172.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -69.51 -62.84 1.22 Allowed 'General case' 0 C--N 1.353 0.76 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -167.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -171.93 -74.54 0.01 OUTLIER 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.579 0.549 . . . . 0.0 112.185 163.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.34 172.52 8.6 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.352 0.661 . . . . 0.0 109.684 -168.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 2.5 pptp? -67.25 -43.41 81.96 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.601 0.637 . . . . 0.0 111.306 -177.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.403 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -56.63 -40.67 75.79 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.79 0.436 . . . . 0.0 110.857 175.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.7 m -71.83 -30.73 65.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.822 0.849 . . . . 0.0 111.093 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.81 -54.38 16.19 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.604 0.762 . . . . 0.0 110.824 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.88 -46.8 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.207 0.603 . . . . 0.0 110.91 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -55.83 -40.81 73.33 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.973 0.509 . . . . 0.0 111.659 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.35 -52.06 67.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.2 0.6 . . . . 0.0 110.058 173.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.438 ' HA ' HG12 ' A' ' 45' ' ' ILE . 71.0 mt -60.07 -27.74 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.788 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.6 mt-10 -67.45 -32.71 73.76 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 119.116 -0.469 . . . . 0.0 110.19 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.1 m -57.45 -39.22 75.82 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.628 0.58 . . . . 0.0 111.567 171.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.504 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.6 mm -67.04 -42.61 88.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -175.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.614 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.2 mmmm -59.78 -26.33 65.63 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -177.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 29.7 mmt180 -71.42 -50.29 33.35 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.963 -171.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -170.35 18.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.504 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 7.7 t -62.31 -37.29 85.0 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.551 -0.718 . . . . 0.0 112.221 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.608 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.09 -24.94 68.13 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.353 174.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.66 -11.72 46.42 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.675 173.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.73 138.86 56.57 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.9 0.88 . . . . 0.0 111.087 -175.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -68.13 159.33 31.19 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.809 0.444 . . . . 0.0 111.365 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -115.32 102.52 9.93 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' B' ' 5' ' ' GLU . 7.1 p -104.41 127.86 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.95 0.9 . . . . 0.0 110.196 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -107.18 121.13 43.9 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 122.847 0.459 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -96.56 -20.55 18.27 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.518 1.127 . . . . 0.0 112.784 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.638 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 8.8 t -86.57 5.06 37.43 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 122.801 0.44 . . . . 0.0 111.678 -172.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.47 -24.76 62.93 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.708 0.803 . . . . 0.0 109.863 167.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -147.96 -173.02 4.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.33 1.052 . . . . 0.0 110.008 -171.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.6 p -99.85 128.07 45.97 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.592 0.757 . . . . 0.0 109.045 168.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.275 0 C-N-CA 123.829 0.852 . . . . 0.0 109.225 -179.406 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttm . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -68.34 162.66 24.77 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.549 0.69 . . . . 0.0 111.827 170.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.95 178.94 7.35 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.015 -167.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.415 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 97.0 m-85 -103.29 109.48 21.1 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.607 1.163 . . . . 0.0 109.284 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.424 ' HA ' HG13 ' A' ' 55' ' ' VAL . 79.4 mt-10 -94.24 106.04 18.02 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.58 0.752 . . . . 0.0 109.187 -177.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.47 ' HA ' ' HB3' ' B' ' 16' ' ' PHE . 23.6 mt -95.8 125.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.838 0.855 . . . . 0.0 109.082 -172.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.673 ' HE1' ' HG3' ' B' ' 17' ' ' ARG . 47.1 p90 -140.51 -179.46 6.03 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.336 0.589 . . . . 0.0 109.702 176.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -116.75 141.58 48.02 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 163.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -92.01 169.41 10.68 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -41.05 -37.43 0.84 Allowed 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 126.358 1.863 . . . . 0.0 113.243 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.55 11.75 1.52 Allowed 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 124.328 1.051 . . . . 0.0 112.757 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.33 26.16 63.66 Favored Glycine 0 C--N 1.352 1.458 0 C-N-CA 123.714 0.674 . . . . 0.0 112.69 -172.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -104.88 133.08 50.29 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -170.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -88.05 114.19 24.42 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.901 0.857 . . . . 0.0 109.825 -166.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -135.64 137.75 42.18 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 113.127 -1.851 . . . . 0.0 109.393 -170.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.47 ' HB3' ' HA ' ' B' ' 6' ' ' ILE . 32.5 p90 -124.02 168.37 12.93 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.445 0.64 . . . . 0.0 110.478 174.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.673 ' HG3' ' HE1' ' B' ' 7' ' ' TYR . 16.7 mtm180 -125.1 159.92 30.29 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.326 -1.306 . . . . 0.0 109.436 178.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -119.03 130.83 55.86 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 165.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -98.61 -177.78 3.78 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.94 -174.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.83 163.91 30.24 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.514 1.125 . . . . 0.0 108.191 173.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.9 p -52.35 -30.75 30.19 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -75.57 -9.59 58.71 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 123.689 0.795 . . . . 0.0 111.793 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.22 46.06 9.5 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -173.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -125.69 141.97 51.75 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.201 1.0 . . . . 0.0 108.97 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 90.9 m -96.01 131.58 42.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.451 0.7 . . . . 0.0 109.555 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.436 ' HE1' ' CD1' ' B' ' 27' ' ' PHE . 1.1 ppp? -108.96 -18.07 13.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.272 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.506 ' HD2' ' HG2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -163.95 166.03 22.04 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 160.436 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.454 ' CB ' ' HG2' ' B' ' 17' ' ' ARG . 58.9 p -178.06 173.02 1.54 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.583 -169.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m 63.36 24.62 14.29 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 164.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.499 ' HG2' ' HD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -52.6 -35.93 55.19 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.402 1.081 . . . . 0.0 111.528 169.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.53 54.94 23.18 Favored Glycine 0 C--N 1.359 1.859 0 CA-C-O 119.223 -0.765 . . . . 0.0 112.404 172.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -69.19 -62.83 1.22 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -167.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -172.24 -74.93 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 O-C-N 123.639 0.587 . . . . 0.0 112.123 163.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.18 171.5 9.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.321 0.648 . . . . 0.0 109.322 -167.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.48 ' HZ2' HG23 ' A' ' 58' ' ' THR . 14.6 tttp -65.99 -45.02 83.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.26 0.624 . . . . 0.0 110.966 -177.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.65 -41.02 73.02 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.931 0.492 . . . . 0.0 111.03 174.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.7 m -72.05 -30.78 65.51 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.747 0.819 . . . . 0.0 111.187 176.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.21 -54.64 16.37 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 123.794 0.838 . . . . 0.0 110.833 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.413 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.4 mp -56.68 -47.06 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.185 0.594 . . . . 0.0 110.813 174.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -56.43 -40.36 74.63 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 123.518 0.511 . . . . 0.0 111.385 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.15 -52.39 65.91 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.059 0.544 . . . . 0.0 110.184 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.427 ' HA ' HG12 ' B' ' 45' ' ' ILE . 70.9 mt -59.5 -28.3 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 122.956 0.502 . . . . 0.0 111.894 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.521 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 46.4 mt-10 -67.46 -31.78 72.17 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.587 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 28.6 m -58.08 -39.0 77.47 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.439 0.462 . . . . 0.0 111.723 170.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.468 ' HA ' ' HB3' ' B' ' 49' ' ' SER . 2.6 mm -67.47 -42.35 87.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -175.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.608 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.5 mmmm -60.15 -26.43 66.29 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 31.5 mmt180 -70.38 -49.99 43.38 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.705 -172.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -170.99 17.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -169.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.468 ' HB3' ' HA ' ' B' ' 45' ' ' ILE . 87.4 p -61.59 -38.35 87.22 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 118.765 0.711 . . . . 0.0 112.052 -176.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.52 -24.9 67.74 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.633 0.773 . . . . 0.0 112.302 175.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.86 -12.13 44.39 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.771 -0.46 . . . . 0.0 113.578 173.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.48 138.98 57.01 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.862 0.865 . . . . 0.0 111.116 -175.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -69.53 159.67 32.9 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.922 0.391 . . . . 0.0 111.345 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.3 m -115.0 101.84 9.39 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 90.6 t -103.14 126.97 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.518 1.127 . . . . 0.0 109.545 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.423 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 12.2 t70 -106.84 121.4 44.34 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.112 0.565 . . . . 0.0 110.784 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.21 -24.04 15.89 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.969 1.307 . . . . 0.0 112.57 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.65 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.2 t -78.56 -30.75 47.03 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -165.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 66.5 p -94.46 -14.59 25.02 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 53.7 ttp -71.25 -55.15 8.66 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 124.036 0.934 . . . . 0.0 109.245 168.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 17.4 p -138.4 120.45 15.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.287 1.035 . . . . 0.0 109.288 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' B' ' 58' ' ' THR . . . . . . . . 0 C--O 1.251 1.152 0 C-N-CA 123.815 0.846 . . . . 0.0 109.166 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.4 ttm . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.4 ' OH ' ' HB2' ' B' ' 47' ' ' ARG . 0.9 OUTLIER -155.13 174.41 15.24 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.163 0.985 . . . . 0.0 110.332 177.235 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.8 OUTLIER -164.44 176.31 9.15 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.248 0.547 . . . . 0.0 111.699 -173.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -95.29 112.85 24.5 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.595 1.158 . . . . 0.0 108.545 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -93.67 106.04 18.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.554 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 21.4 mt -99.93 120.67 49.66 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -177.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.553 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 34.4 p90 -138.12 -177.25 4.74 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -122.03 151.73 40.53 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 161.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 31.0 t70 -81.54 164.55 21.87 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.88 -35.65 10.79 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.332 1.453 . . . . 0.0 111.411 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.3 13.56 1.15 Allowed 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 115.179 -0.918 . . . . 0.0 112.224 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.06 21.64 77.01 Favored Glycine 0 C--N 1.349 1.254 0 C-N-CA 124.435 1.017 . . . . 0.0 113.34 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 36.3 mt-10 -95.79 96.83 9.23 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.354 0.261 . . . . 0.0 111.269 -168.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.48 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 74.6 m-85 -52.86 124.32 13.76 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.056 0.542 . . . . 0.0 111.579 174.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -146.7 136.69 23.4 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 126.069 1.748 . . . . 0.0 108.161 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -116.19 133.45 56.01 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 172.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -110.19 161.54 15.47 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.628 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 11.6 t80 -117.59 134.1 55.24 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 175.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -96.88 -178.6 4.28 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.866 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.522 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . . . -136.06 165.67 25.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.891 177.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.7 p -57.72 -27.45 62.99 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.713 0.805 . . . . 0.0 112.663 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -75.89 -7.65 55.03 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.883 0.873 . . . . 0.0 111.559 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.53 42.23 55.96 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -173.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.522 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 17.1 pt-20 -121.32 138.56 54.19 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.6 m -88.61 138.36 31.49 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.628 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.1 ppp? -115.18 -11.83 11.96 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.887 -177.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.611 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 9.5 p90 -162.84 158.94 23.29 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.174 0.511 . . . . 0.0 111.247 162.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 t -120.19 132.63 55.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 113.099 -1.864 . . . . 0.0 106.058 169.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.6 ' HB3' ' HE2' ' A' ' 27' ' ' PHE . 95.4 p -98.6 178.62 4.95 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.431 1.014 . . . . 0.0 111.782 -171.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.49 -28.92 68.25 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.38 -1.736 . . . . 0.0 110.616 168.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 79.4 -11.08 33.0 Favored Glycine 0 C--N 1.359 1.816 0 CA-C-N 116.074 -0.512 . . . . 0.0 113.839 -172.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.7 t80 80.84 -60.79 0.25 Allowed 'General case' 0 C--N 1.355 0.84 0 C-N-CA 126.329 1.852 . . . . 0.0 110.622 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -156.16 -69.12 0.11 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.854 0.462 . . . . 0.0 111.01 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.488 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -133.37 -172.99 3.09 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.276 1.03 . . . . 0.0 109.086 -171.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.624 ' HG2' HG21 ' B' ' 61' ' ' THR . 0.0 OUTLIER -68.28 -48.72 64.26 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 118.406 0.548 . . . . 0.0 109.654 179.277 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.78 88.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.224 0.61 . . . . 0.0 110.698 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.488 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 4.4 m -71.22 -29.91 65.72 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.657 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.02 -43.33 71.55 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.222 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.73 -48.3 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.455 0.702 . . . . 0.0 110.471 171.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -58.53 -39.43 80.13 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.387 0.675 . . . . 0.0 110.594 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -61.1 -52.47 64.78 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.033 174.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.604 ' HA ' HG12 ' A' ' 45' ' ' ILE . 94.3 mt -60.65 -25.19 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.114 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.6 mt-10 -67.04 -31.84 72.65 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 122.28 -0.262 . . . . 0.0 110.343 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 4.2 m -59.35 -38.86 81.45 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 123.335 0.397 . . . . 0.0 111.897 168.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.604 HG12 ' HA ' ' A' ' 42' ' ' ILE . 4.7 mm -67.16 -40.29 84.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.53 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.7 mmmm -63.62 -19.26 64.72 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -177.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 17.7 mmm180 -73.95 -55.53 6.05 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.464 -174.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.51 ' ND2' ' SD ' ' B' ' 1' ' ' MET . 8.5 t30 -166.73 16.78 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -169.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.47 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 7.4 t -61.39 -36.87 81.47 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.381 -0.824 . . . . 0.0 112.711 -174.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.524 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -63.09 -22.27 66.74 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 175.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.17 -6.19 29.87 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-O 119.864 -0.409 . . . . 0.0 113.627 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.57 138.4 58.38 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.005 0.922 . . . . 0.0 111.182 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.67 151.25 47.75 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 122.863 0.465 . . . . 0.0 110.616 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.4 m -114.94 118.79 34.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.445 0.698 . . . . 0.0 109.317 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.0 t -127.97 126.13 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.434 1.094 . . . . 0.0 109.395 -172.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.537 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.9 p-10 -103.39 108.17 19.3 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.87 0.843 . . . . 0.0 110.431 172.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.06 -18.74 60.79 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.863 1.265 . . . . 0.0 111.625 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.602 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.0 t -86.76 -13.87 43.99 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.751 0.42 . . . . 0.0 111.829 -172.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.0 p 34.83 33.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -174.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 93.8 mmm -82.38 140.36 33.53 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.016 0.526 . . . . 0.0 109.714 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 89.5 m -75.05 -35.81 61.86 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.395 0.678 . . . . 0.0 110.725 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.305 0 C-N-CA 123.57 0.748 . . . . 0.0 110.434 -179.057 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.51 ' SD ' ' ND2' ' A' ' 48' ' ' ASN . 51.7 ttm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.22 170.81 9.46 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.094 0.473 . . . . 0.0 111.391 170.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -162.91 175.94 10.69 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.345 -173.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -94.32 112.8 24.61 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.607 1.163 . . . . 0.0 108.687 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -93.17 105.62 17.69 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.537 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 14.2 mt -99.53 120.31 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.602 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 27.2 p90 -137.84 -177.18 4.69 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -122.62 151.58 41.32 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 161.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.472 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 33.4 t70 -81.06 164.62 22.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 177.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -48.32 -35.67 12.79 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 125.411 1.484 . . . . 0.0 111.563 176.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.63 13.35 1.02 Allowed 'General case' 0 CA--C 1.564 1.5 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.447 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.22 21.31 77.16 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 124.273 0.94 . . . . 0.0 113.167 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 48.3 mt-10 -95.26 97.25 9.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.655 0.382 . . . . 0.0 111.086 -168.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.467 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 97.2 m-85 -53.75 124.78 16.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.879 0.472 . . . . 0.0 111.056 174.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -146.22 137.0 24.28 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 126.139 1.775 . . . . 0.0 108.192 -176.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -116.18 134.01 55.4 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -110.27 161.82 15.22 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.645 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 11.7 t80 -117.61 134.06 55.29 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 174.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -96.6 -178.84 4.4 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.764 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.33 164.82 26.87 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.282 1.033 . . . . 0.0 108.688 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 28.3 p -57.79 -26.65 62.23 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.513 0.725 . . . . 0.0 112.534 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -76.71 -6.94 54.25 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.8 0.84 . . . . 0.0 112.005 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.4 41.28 58.88 Favored Glycine 0 C--N 1.344 0.985 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 -173.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -120.66 138.55 53.87 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.2 1.0 . . . . 0.0 108.593 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 59.0 m -88.97 138.32 31.51 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.645 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.1 ppp? -115.12 -12.21 11.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.726 0.81 . . . . 0.0 111.844 -176.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.614 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 9.7 p90 -162.58 158.53 23.53 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.319 0.581 . . . . 0.0 111.342 163.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 75.6 m -119.62 133.03 55.82 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 113.171 -1.831 . . . . 0.0 106.511 168.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.611 ' HB3' ' HE2' ' B' ' 27' ' ' PHE . 92.9 p -98.7 178.66 4.92 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.415 1.007 . . . . 0.0 111.775 -171.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.31 -29.19 68.71 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.233 -1.803 . . . . 0.0 110.634 168.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 79.26 -10.92 32.89 Favored Glycine 0 C--N 1.357 1.729 0 CA-C-N 115.889 -0.596 . . . . 0.0 113.737 -172.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 72.2 t80 80.92 -61.12 0.23 Allowed 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.032 1.733 . . . . 0.0 110.508 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -156.37 -69.17 0.11 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.928 0.491 . . . . 0.0 110.824 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.489 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -133.23 -173.53 3.23 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.055 0.942 . . . . 0.0 109.447 -171.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.83 -50.59 62.1 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 118.684 0.675 . . . . 0.0 109.329 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.94 82.9 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.134 0.573 . . . . 0.0 110.966 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.489 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 2.8 m -72.33 -29.72 64.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.006 0.922 . . . . 0.0 110.539 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.13 -43.35 71.13 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.154 176.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.47 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 1.8 mp -56.99 -48.77 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.451 0.7 . . . . 0.0 110.414 171.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -57.17 -40.29 77.01 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.427 0.691 . . . . 0.0 110.758 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.51 -52.67 64.2 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.108 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.562 ' HA ' HG12 ' B' ' 45' ' ' ILE . 94.6 mt -60.33 -25.71 34.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.021 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.49 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 19.2 mm-40 -66.86 -31.88 72.79 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m -59.11 -38.63 80.02 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 168.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.562 HG12 ' HA ' ' B' ' 42' ' ' ILE . 3.6 mm -67.89 -40.07 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.4 mmmm -63.84 -18.78 64.49 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -177.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 26.7 mmt180 -74.54 -54.9 6.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.31 -173.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -167.25 16.63 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 -169.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.431 ' HB3' ' HA ' ' B' ' 45' ' ' ILE . 85.9 p -60.42 -37.74 81.84 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -175.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.2 -22.39 66.84 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.391 0.676 . . . . 0.0 112.207 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.95 -6.07 30.39 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-O 119.785 -0.453 . . . . 0.0 113.723 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.75 137.75 57.98 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.144 0.978 . . . . 0.0 111.172 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.415 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 17.2 t0 -65.49 151.2 46.95 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.196 0.598 . . . . 0.0 110.776 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.8 m -115.5 119.3 35.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.276 0.63 . . . . 0.0 109.522 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.92 126.04 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.36 1.064 . . . . 0.0 109.092 -172.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.554 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 7.8 p-10 -102.99 107.39 18.17 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.543 0.611 . . . . 0.0 110.447 171.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 60.8 mt -72.47 -15.48 61.81 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.878 1.271 . . . . 0.0 111.717 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.553 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 9.8 t -90.7 24.27 2.76 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 124.276 1.03 . . . . 0.0 110.54 -177.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.1 p -27.43 -56.67 0.1 Allowed 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 126.331 1.852 . . . . 0.0 114.406 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 89.5 mtp -82.67 87.49 6.73 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 173.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.624 HG21 ' HG2' ' A' ' 35' ' ' LYS . 34.1 p -77.44 155.1 32.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.716 0.807 . . . . 0.0 112.078 -172.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 C-N-CA 123.901 0.88 . . . . 0.0 109.512 -177.449 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttm . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -66.99 167.41 11.82 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 121.082 0.468 . . . . 0.0 111.339 169.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.431 ' HA ' ' HB1' ' B' ' 52' ' ' ALA . 0.0 OUTLIER -168.29 -175.42 2.57 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.366 -165.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -103.92 121.64 43.53 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.855 0.862 . . . . 0.0 108.767 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -96.45 112.51 24.22 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.9 mt -102.39 119.72 51.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.521 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 27.4 p90 -133.05 -176.49 4.14 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.58 148.73 47.66 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 170.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.95 173.87 7.22 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 123.457 0.703 . . . . 0.0 109.986 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -45.44 -33.61 2.71 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 125.752 1.908 . . . . 0.0 114.163 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.458 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -72.22 2.6 5.69 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.982 0.913 . . . . 0.0 112.315 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.9 38.33 96.39 Favored Glycine 0 C--N 1.354 1.564 0 C-N-CA 123.93 0.776 . . . . 0.0 112.301 -173.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -125.72 152.84 44.77 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -92.4 132.89 36.39 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -168.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -125.55 139.52 53.53 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.756 1.623 . . . . 0.0 109.149 -173.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.505 ' HD1' ' H ' ' A' ' 31' ' ' GLY . 5.0 p90 -106.06 157.47 17.51 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 175.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -143.49 133.03 23.55 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 124.148 0.905 . . . . 0.0 110.336 157.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.473 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.1 t80 -97.44 125.85 42.34 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 176.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -96.14 -180.0 4.86 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.446 -170.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -130.03 159.94 35.19 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.73 176.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -51.6 -32.38 28.58 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.535 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 6.7 t30 -78.3 -6.5 55.22 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.091 0.556 . . . . 0.0 111.566 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.53 12.52 69.48 Favored Glycine 0 C--N 1.346 1.085 0 C-N-CA 123.001 0.334 . . . . 0.0 112.669 -172.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.535 ' HG2' ' HB3' ' A' ' 22' ' ' ASN . 23.0 mm-40 -75.63 164.63 26.1 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.731 0.812 . . . . 0.0 110.406 175.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.9 m -128.78 124.23 34.92 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 176.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.473 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -99.42 -16.7 18.29 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.596 -173.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.15 165.36 19.85 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 161.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.8 p -175.4 145.37 0.74 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.841 -174.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 p 166.72 -93.81 0.0 OUTLIER 'General case' 0 C--N 1.37 1.482 0 O-C-N 124.716 1.26 . . . . 0.0 111.684 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.38 -54.65 29.47 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -157.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.505 ' H ' ' HD1' ' A' ' 16' ' ' PHE . . . 64.99 10.89 49.01 Favored Glycine 0 N--CA 1.492 2.416 0 C-N-CA 123.245 0.45 . . . . 0.0 114.203 -168.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.1 t80 71.03 -74.88 0.08 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.661 1.984 . . . . 0.0 110.273 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -167.66 -79.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.894 0.477 . . . . 0.0 111.262 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.59 165.49 11.63 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.212 1.005 . . . . 0.0 109.651 -171.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -47.82 83.56 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 119.481 1.037 . . . . 0.0 112.794 -172.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.8 -47.88 70.37 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 121.267 0.556 . . . . 0.0 110.912 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.5 m -74.7 -24.03 58.7 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.302 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.31 -55.77 12.51 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.552 0.741 . . . . 0.0 110.165 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.2 mp -58.87 -47.33 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.041 0.536 . . . . 0.0 110.344 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -55.76 -38.31 69.68 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 123.87 0.731 . . . . 0.0 111.848 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -60.21 -54.84 41.07 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.471 ' HA ' HG12 ' A' ' 45' ' ' ILE . 76.3 mt -61.01 -22.38 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 122.842 0.457 . . . . 0.0 111.869 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 43.5 mt-10 -68.64 -34.19 75.31 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.456 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 4.3 m -55.01 -36.68 65.71 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 124.137 0.898 . . . . 0.0 112.008 171.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.604 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.5 mm -68.3 -41.47 83.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -176.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.593 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -71.44 -16.16 62.37 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 123.862 0.865 . . . . 0.0 112.403 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 15.4 mmt180 -69.9 -56.14 7.85 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.566 0.541 . . . . 0.0 111.123 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -169.2 16.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -170.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.604 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 15.9 t -66.37 -35.75 81.14 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 121.691 -0.631 . . . . 0.0 112.693 -176.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.59 -31.21 72.0 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.773 0.32 . . . . 0.0 111.227 172.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.75 -2.59 64.88 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.838 177.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' B' ' 3' ' ' LYS . . . -71.33 164.66 25.29 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.303 0.641 . . . . 0.0 110.648 177.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -93.44 162.24 14.06 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.029 0.532 . . . . 0.0 110.181 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.7 m -112.15 99.49 8.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.72 0.808 . . . . 0.0 108.832 174.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.9 t -100.23 128.94 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.423 1.089 . . . . 0.0 109.641 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -110.53 110.39 21.09 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.214 0.606 . . . . 0.0 109.615 173.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD11 ' HB3' ' B' ' 5' ' ' GLU . 42.4 mt -74.86 -32.41 61.89 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.817 1.247 . . . . 0.0 112.859 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.56 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 13.1 t -93.3 0.19 56.9 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 118.487 0.585 . . . . 0.0 112.099 -162.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.645 HG21 ' HD2' ' B' ' 35' ' ' LYS . 81.1 p -116.2 15.22 15.97 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.8 ttm -69.41 -40.75 77.12 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.533 -1.212 . . . . 0.0 109.481 169.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 59.3 m -133.25 -64.96 0.71 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.914 0.885 . . . . 0.0 109.924 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 123.89 0.876 . . . . 0.0 110.021 -174.63 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.9 ttm . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -71.89 166.63 21.72 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 121.195 0.521 . . . . 0.0 111.388 170.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.41 ' HA ' ' HB1' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -169.92 -175.08 1.96 Allowed 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.916 -166.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -103.68 122.29 44.73 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.841 0.857 . . . . 0.0 108.784 177.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.475 ' HB3' HD11 ' A' ' 57' ' ' LEU . 39.2 mt-10 -97.7 112.26 24.22 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.4 mt -101.96 119.19 49.9 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.56 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 23.2 p90 -132.6 -176.46 4.1 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.58 149.55 46.91 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 170.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.69 173.81 7.14 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 123.456 0.702 . . . . 0.0 109.714 178.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' B' ' 11' ' ' ALA . 0.1 OUTLIER -45.86 -33.4 3.15 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 125.724 1.89 . . . . 0.0 114.094 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.454 ' N ' ' HD3' ' B' ' 10' ' ' LYS . . . -72.41 2.62 5.9 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.206 1.003 . . . . 0.0 112.171 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.75 37.98 95.51 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 123.603 0.62 . . . . 0.0 112.302 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.416 ' HB2' ' NH1' ' B' ' 15' ' ' ARG . 46.0 mt-10 -126.23 152.73 45.68 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -174.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.434 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 46.2 m-85 -91.4 132.19 36.37 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -169.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -123.43 138.81 54.51 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.427 1.891 . . . . 0.0 108.988 -174.32 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.646 ' HE1' ' HB1' ' B' ' 38' ' ' ALA . 11.6 m-85 -103.28 157.76 16.79 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 173.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -143.49 132.92 23.41 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.222 0.951 . . . . 0.0 110.626 155.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.47 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 14.6 t80 -96.81 126.02 41.67 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 175.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -96.59 179.46 4.99 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.341 -170.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -129.41 159.99 34.5 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.949 1.299 . . . . 0.0 108.876 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -51.6 -33.09 31.3 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.34 1.056 . . . . 0.0 113.578 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -77.31 -7.02 55.33 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.358 0.663 . . . . 0.0 112.129 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.97 11.71 69.64 Favored Glycine 0 N--CA 1.468 0.819 0 C-N-CA 122.909 0.29 . . . . 0.0 112.684 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 32.5 mt-10 -74.65 165.49 25.13 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.62 0.768 . . . . 0.0 110.449 174.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 12.8 m -129.58 124.01 32.74 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.562 ' HE1' ' HD1' ' B' ' 27' ' ' PHE . 1.6 ppp? -99.57 -15.82 18.48 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.771 -173.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.562 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 6.0 p90 -165.09 166.47 19.12 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.464 0.65 . . . . 0.0 110.899 161.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -175.24 146.91 0.86 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 113.473 -1.694 . . . . 0.0 108.383 -176.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.525 ' O ' ' HG3' ' B' ' 15' ' ' ARG . 2.2 m 165.33 -94.45 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 124.795 1.309 . . . . 0.0 111.718 178.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.656 ' HG2' ' H ' ' B' ' 32' ' ' TYR . 0.0 OUTLIER -63.33 -53.86 46.01 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -157.673 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 65.35 9.1 41.21 Favored Glycine 0 N--CA 1.478 1.487 0 N-CA-C 114.638 0.615 . . . . 0.0 114.638 -167.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.656 ' H ' ' HG2' ' B' ' 30' ' ' GLU . 63.0 t80 71.5 -75.59 0.07 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.563 1.945 . . . . 0.0 109.804 -177.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -167.1 -79.97 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.753 0.421 . . . . 0.0 111.617 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.93 165.32 11.67 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.083 0.953 . . . . 0.0 109.514 -172.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.645 ' HD2' HG21 ' A' ' 59' ' ' THR . 52.9 tttp -60.84 -49.09 78.87 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 119.222 0.919 . . . . 0.0 112.417 -172.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.94 -48.04 67.63 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.684 0.394 . . . . 0.0 110.784 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.0 m -75.1 -23.22 57.91 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.31 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.646 ' HB1' ' HE1' ' B' ' 16' ' ' PHE . . . -67.03 -56.53 9.71 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.903 0.881 . . . . 0.0 110.323 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.37 -47.61 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.291 0.637 . . . . 0.0 110.632 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -55.2 -38.82 68.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 123.757 0.661 . . . . 0.0 111.399 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -60.8 -54.62 42.92 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.481 ' HA ' HG12 ' B' ' 45' ' ' ILE . 77.5 mt -60.4 -23.16 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 80.0 mt-10 -68.3 -33.85 75.08 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 14.6 m -54.94 -37.06 65.95 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 123.913 0.758 . . . . 0.0 111.794 171.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.593 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.8 mm -68.2 -41.63 84.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -176.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.602 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -71.34 -16.63 62.44 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 124.038 0.935 . . . . 0.0 112.319 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 63.0 mtt180 -69.11 -56.58 7.27 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.57 17.02 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -170.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.593 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 17.7 t -66.62 -35.6 80.56 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -63.11 -32.05 73.33 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 120.65 0.262 . . . . 0.0 111.176 173.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.8 -1.78 67.58 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 116.027 -0.533 . . . . 0.0 113.011 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.431 ' HB1' ' HA ' ' A' ' 3' ' ' LYS . . . -71.65 164.29 26.18 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.318 0.647 . . . . 0.0 110.572 177.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -93.49 162.06 14.12 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.085 0.554 . . . . 0.0 110.009 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.7 m -112.26 99.92 8.41 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 39.1 t -100.48 128.75 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.183 0.993 . . . . 0.0 109.555 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -109.83 110.17 21.07 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.402 0.681 . . . . 0.0 109.973 173.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.75 -30.78 61.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.066 1.346 . . . . 0.0 112.7 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.521 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 8.2 t -96.87 14.84 23.92 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.541 -165.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 34.2 p -29.32 -50.63 0.1 Allowed 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 125.914 1.686 . . . . 0.0 114.587 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 79.0 mtp -87.78 73.98 9.18 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.442 0.697 . . . . 0.0 109.872 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 17.2 p -75.56 106.81 7.31 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.869 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.824 0 C-N-CA 124.223 1.009 . . . . 0.0 109.272 -172.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttp . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -66.82 156.63 35.08 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.218 0.533 . . . . 0.0 111.337 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.48 -179.11 4.76 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.611 -166.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 55.5 m-85 -103.87 117.26 33.9 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.976 -179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -94.24 113.22 25.09 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.5 mt -102.3 119.85 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.636 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 34.4 p90 -138.13 178.45 7.11 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.567 HE21 ' HA2' ' A' ' 12' ' ' GLY . 9.4 pt20 -122.94 152.25 41.02 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 166.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.31 161.44 25.07 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -34.27 62.18 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.519 0.727 . . . . 0.0 111.194 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.56 0.62 0.3 Allowed 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 124.635 1.174 . . . . 0.0 113.768 172.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.567 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 78.91 20.79 69.73 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 124.536 1.065 . . . . 0.0 113.044 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -104.31 103.51 13.27 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.475 0.31 . . . . 0.0 111.438 -167.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -60.33 136.57 58.08 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.52 140.03 13.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 113.475 -1.693 . . . . 0.0 109.175 173.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -108.8 171.68 7.28 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-O 121.417 0.627 . . . . 0.0 109.989 170.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 12.5 ptp180 -148.01 167.51 24.73 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.833 174.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.509 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 12.6 t80 -118.27 132.91 56.27 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 174.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -101.07 -178.23 3.69 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.52 -173.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.13 160.07 38.93 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.517 1.127 . . . . 0.0 108.404 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.2 m -42.98 -44.11 4.49 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -89.54 -3.39 58.35 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 123.439 0.695 . . . . 0.0 111.425 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.91 22.41 8.88 Favored Glycine 0 N--CA 1.475 1.256 0 N-CA-C 114.625 0.61 . . . . 0.0 114.625 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.64 163.85 23.3 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.798 0.439 . . . . 0.0 109.91 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 m -130.47 144.45 51.41 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 172.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.509 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.8 ppp? -126.23 -22.04 4.13 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.329 0.652 . . . . 0.0 112.037 -173.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.736 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 1.4 p90 -149.82 158.51 44.24 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 117.977 0.353 . . . . 0.0 110.243 168.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -168.38 -179.13 3.82 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 125.059 1.474 . . . . 0.0 110.874 178.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 m 93.69 17.47 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.181 1.393 . . . . 0.0 113.24 156.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.701 ' HG2' ' HA ' ' B' ' 27' ' ' PHE . 11.1 tp10 -101.39 -92.96 0.3 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 123.21 0.604 . . . . 0.0 110.484 173.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.49 -20.28 38.98 Favored Glycine 0 N--CA 1.483 1.798 0 C-N-CA 123.372 0.511 . . . . 0.0 112.158 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 3.3 t80 78.92 -57.29 0.43 Allowed 'General case' 0 C--N 1.352 0.698 0 C-N-CA 126.904 2.082 . . . . 0.0 110.946 172.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -159.62 -55.39 0.06 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.683 0.793 . . . . 0.0 109.671 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -144.14 -176.2 4.92 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -177.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.525 ' O ' HD12 ' A' ' 39' ' ' ILE . 16.9 ptpt -70.1 -39.34 75.59 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.706 0.684 . . . . 0.0 110.019 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.32 88.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.285 0.634 . . . . 0.0 110.487 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.404 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 14.2 m -66.01 -27.5 68.17 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.824 175.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.11 -51.76 29.01 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.804 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 35' ' ' LYS . 4.0 mp -54.37 -53.04 33.5 Favored 'Isoleucine or valine' 0 C--N 1.374 1.646 0 CA-C-N 118.84 0.745 . . . . 0.0 109.945 175.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -57.14 -40.75 77.81 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 123.562 0.745 . . . . 0.0 111.553 -177.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -57.17 -56.56 20.19 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 173.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.7 -24.36 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 C-N-CA 123.753 0.821 . . . . 0.0 112.379 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 25.7 mm-40 -70.24 -26.9 64.06 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.756 -0.59 . . . . 0.0 110.244 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 58.3 m -54.35 -38.39 66.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 123.556 0.535 . . . . 0.0 111.727 165.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 5.8 mm -68.89 -39.55 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -176.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.607 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -70.41 -15.32 62.83 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.938 0.895 . . . . 0.0 112.51 179.663 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 31.3 mmm180 -63.44 -61.02 2.61 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 123.977 0.798 . . . . 0.0 110.971 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -173.14 19.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.608 0.568 . . . . 0.0 111.254 -173.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 20.5 t -65.14 -31.75 73.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -176.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.5 -27.38 69.1 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 120.865 0.364 . . . . 0.0 111.59 171.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.78 -0.15 55.24 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 115.784 -0.643 . . . . 0.0 113.195 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.35 166.86 20.74 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 117.338 0.569 . . . . 0.0 110.921 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -96.73 162.97 13.2 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.294 0.638 . . . . 0.0 109.749 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.7 m -115.42 99.47 7.4 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.078 0.951 . . . . 0.0 109.482 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.82 126.6 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.558 0.743 . . . . 0.0 110.021 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.424 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 8.8 p-10 -99.93 108.33 20.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.349 0.66 . . . . 0.0 110.006 176.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -74.08 -16.5 61.03 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.42 1.088 . . . . 0.0 111.627 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.56 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 11.4 t -97.81 32.97 2.19 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 124.801 1.24 . . . . 0.0 109.596 -178.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.6 p -33.18 -50.75 0.31 Allowed 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 124.836 1.254 . . . . 0.0 113.071 171.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.4 ttt -76.01 103.54 6.12 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 166.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.482 HG21 ' HE2' ' B' ' 35' ' ' LYS . 40.4 p -87.15 138.55 31.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.628 0.771 . . . . 0.0 111.086 -174.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 172.29 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -75.31 147.32 40.26 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.576 0.703 . . . . 0.0 110.555 166.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.96 -179.86 6.01 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 124.947 1.299 . . . . 0.0 109.434 -167.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -104.6 117.29 33.76 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.93 0.892 . . . . 0.0 109.973 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -95.14 112.97 24.61 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.441 HD11 HD12 ' B' ' 42' ' ' ILE . 61.3 mt -102.19 119.51 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.445 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.56 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 50.7 p90 -137.17 178.12 7.33 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -122.16 154.2 37.74 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 163.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.37 161.52 23.75 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -53.76 -35.75 61.6 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.695 0.798 . . . . 0.0 110.545 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.69 0.53 0.2 Allowed 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 173.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.51 21.47 69.44 Favored Glycine 0 C--N 1.361 1.96 0 C-N-CA 124.984 1.278 . . . . 0.0 112.901 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.456 ' O ' ' HD2' ' B' ' 15' ' ' ARG . 24.2 mm-40 -104.64 103.19 12.8 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.661 0.384 . . . . 0.0 110.956 -167.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -60.96 135.75 57.88 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 177.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' B' ' 13' ' ' GLU . 2.1 mpt_? -156.0 140.57 16.89 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.924 1.69 . . . . 0.0 107.997 174.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -109.47 172.63 6.74 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-O 121.404 0.621 . . . . 0.0 109.681 168.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -148.52 167.48 25.26 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.04 -1.436 . . . . 0.0 110.427 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.505 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 12.7 t80 -118.44 133.16 56.1 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 173.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -101.16 -178.21 3.68 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.48 -173.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -133.96 159.36 40.96 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.67 1.188 . . . . 0.0 108.277 175.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 65.6 p -42.52 -43.84 3.87 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -90.96 -3.14 57.52 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.692 0.397 . . . . 0.0 111.326 -174.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.36 21.65 8.7 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 114.777 0.671 . . . . 0.0 114.777 176.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 12.4 mp0 -80.33 163.58 23.8 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.952 0.501 . . . . 0.0 109.683 177.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 29.5 m -130.2 144.82 51.59 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 171.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.505 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.6 ppp? -127.13 -21.72 3.89 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.319 0.648 . . . . 0.0 112.113 -173.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.701 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 3.2 p90 -149.81 157.33 43.09 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 120.492 0.186 . . . . 0.0 110.959 167.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t -167.7 179.56 4.76 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 124.961 1.413 . . . . 0.0 110.329 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.431 ' HA ' ' HG2' ' B' ' 15' ' ' ARG . 25.2 p 94.78 19.57 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 125.763 1.625 . . . . 0.0 113.517 156.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.736 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -103.95 -94.25 0.33 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 124.504 1.121 . . . . 0.0 109.757 175.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.76 -19.49 44.78 Favored Glycine 0 C--N 1.356 1.652 0 C-N-CA 123.936 0.779 . . . . 0.0 111.785 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 4.5 t80 78.6 -56.95 0.45 Allowed 'General case' 0 C--N 1.354 0.795 0 C-N-CA 126.987 2.115 . . . . 0.0 111.111 172.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -159.57 -55.74 0.06 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.907 0.883 . . . . 0.0 109.55 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.418 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -144.63 -176.98 5.27 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.451 1.101 . . . . 0.0 108.077 -176.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.482 ' HE2' HG21 ' A' ' 61' ' ' THR . 0.0 OUTLIER -69.38 -40.1 77.62 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.837 0.744 . . . . 0.0 110.056 -179.436 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.1 -46.07 89.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.983 0.513 . . . . 0.0 110.557 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.418 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 18.8 m -66.31 -27.43 67.91 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.827 0.851 . . . . 0.0 110.882 175.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.26 -51.13 32.85 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.97 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.463 HD12 ' O ' ' B' ' 35' ' ' LYS . 3.6 mp -54.35 -52.69 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.846 0.748 . . . . 0.0 109.878 175.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -58.21 -40.78 82.48 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.845 0.858 . . . . 0.0 110.908 -176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -57.52 -56.07 26.64 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.441 HD12 HD11 ' B' ' 6' ' ' ILE . 77.7 mt -57.74 -24.28 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 123.804 0.842 . . . . 0.0 112.306 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' B' ' 39' ' ' ILE . 22.9 mm-40 -70.86 -26.41 63.25 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.831 -0.543 . . . . 0.0 110.356 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 27.1 m -53.95 -38.61 65.13 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 123.356 0.41 . . . . 0.0 111.8 164.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.496 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 5.1 mm -69.0 -39.33 79.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.609 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -70.17 -15.67 62.98 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.877 0.871 . . . . 0.0 112.355 179.603 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -63.67 -60.92 2.7 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.907 0.755 . . . . 0.0 110.981 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -172.77 19.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.449 0.468 . . . . 0.0 111.191 -173.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.496 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 21.9 t -65.01 -31.79 73.2 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.736 -0.602 . . . . 0.0 112.558 -175.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.0 -28.78 69.81 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 122.577 0.351 . . . . 0.0 111.538 171.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.69 0.82 56.7 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-O 119.487 -0.618 . . . . 0.0 113.648 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.14 166.79 20.71 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 117.415 0.608 . . . . 0.0 110.936 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -97.37 163.56 12.83 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 31.4 m -115.21 100.09 7.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.96 0.904 . . . . 0.0 109.582 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 20.9 t -106.36 125.91 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.584 0.753 . . . . 0.0 109.53 -177.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.66 109.73 22.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.02 0.528 . . . . 0.0 109.747 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 64.0 mt -76.29 -20.18 57.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.796 0.838 . . . . 0.0 112.657 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.636 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 15.2 t -93.27 15.88 14.49 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-O 121.134 0.492 . . . . 0.0 111.367 -171.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.9 p -89.04 -24.08 22.42 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 165.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 80.0 mtp -109.33 -179.99 3.99 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 124.431 1.092 . . . . 0.0 109.278 175.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 35.0 p -99.2 -44.72 6.15 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.328 172.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 C-N-CA 123.777 0.831 . . . . 0.0 109.425 -178.824 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.1 ttm . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.52 149.12 49.28 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.33 0.586 . . . . 0.0 110.979 171.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.23 175.37 9.32 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.051 -171.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -100.83 108.08 19.78 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.358 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -93.51 110.07 21.66 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.1 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mt -101.19 118.64 48.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -175.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.646 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 45.1 p90 -137.89 -177.56 4.87 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.596 HE21 ' HA2' ' A' ' 12' ' ' GLY . 10.9 pt20 -127.19 156.29 42.06 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 166.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.454 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 33.0 t70 -84.95 161.35 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -48.84 -34.5 12.62 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.784 1.234 . . . . 0.0 112.953 175.594 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.462 ' N ' ' HD3' ' A' ' 10' ' ' LYS . . . -73.1 9.76 1.13 Allowed 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 124.287 1.035 . . . . 0.0 112.744 175.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.596 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 74.87 16.32 80.49 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 124.657 1.123 . . . . 0.0 113.041 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 41.8 mt-10 -89.48 96.4 10.69 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 116.707 0.254 . . . . 0.0 111.048 -167.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.416 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 84.3 m-85 -55.6 113.9 1.64 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.564 0.697 . . . . 0.0 111.809 175.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -136.2 135.99 39.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 113.246 -1.797 . . . . 0.0 107.619 -178.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -123.38 169.7 11.08 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.098 0.475 . . . . 0.0 109.746 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -140.72 172.17 13.07 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.815 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -126.32 140.5 52.46 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 167.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -98.68 -177.58 3.71 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.152 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.86 160.27 31.43 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.849 1.259 . . . . 0.0 107.776 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -50.69 -29.18 10.57 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.482 1.113 . . . . 0.0 113.904 177.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -89.21 7.34 35.86 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.406 0.682 . . . . 0.0 111.541 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.47 32.37 47.32 Favored Glycine 0 C--N 1.346 1.087 0 C-N-CA 123.054 0.359 . . . . 0.0 113.051 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -107.13 125.23 50.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.523 0.729 . . . . 0.0 109.939 -174.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -78.6 133.54 37.28 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 170.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.417 ' HB2' ' HE2' ' A' ' 26' ' ' MET . 1.3 ppp? -116.13 -18.9 10.49 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.855 -174.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.571 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 0.1 OUTLIER -163.51 168.76 19.73 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.575 0.35 . . . . 0.0 111.602 162.659 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.9 t -176.26 -176.42 0.78 Allowed 'General case' 0 N--CA 1.471 0.601 0 O-C-N 125.013 1.446 . . . . 0.0 111.739 -170.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 m 92.99 -7.03 0.16 Allowed 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.371 1.068 . . . . 0.0 112.947 156.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.598 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 10.5 tp10 -79.99 -88.59 0.07 Allowed 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 176.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 92.74 -16.54 59.99 Favored Glycine 0 N--CA 1.477 1.374 0 CA-C-O 119.947 -0.363 . . . . 0.0 112.405 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.598 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 69.2 t80 75.63 -65.22 0.33 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.548 1.939 . . . . 0.0 111.254 176.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -150.51 -58.22 0.18 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.486 0.715 . . . . 0.0 109.851 -177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.54 -176.41 5.23 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 59.7 pttt -70.0 -41.51 74.27 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.185 0.902 . . . . 0.0 111.587 -176.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.83 87.02 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.826 0.451 . . . . 0.0 110.586 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 m -66.85 -24.46 66.15 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.143 176.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 35' ' ' LYS . . . -68.72 -43.98 74.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.568 0.747 . . . . 0.0 110.336 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.6 mp -55.69 -48.39 77.9 Favored 'Isoleucine or valine' 0 C--N 1.368 1.373 0 CA-C-O 119.179 -0.438 . . . . 0.0 110.262 172.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -56.72 -41.25 77.13 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.11 0.564 . . . . 0.0 111.274 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.9 -55.98 27.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.919 171.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -58.33 -27.56 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.783 0.833 . . . . 0.0 112.167 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 48.4 mt-10 -67.19 -29.51 69.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.671 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -56.97 -40.56 76.75 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.536 0.523 . . . . 0.0 111.589 168.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.468 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 4.3 mm -68.45 -44.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.106 -174.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 9.5 mmmm -58.41 -23.24 56.7 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 114.707 -1.133 . . . . 0.0 113.769 -176.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -66.03 -55.67 15.47 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.2 0.937 . . . . 0.0 111.861 -175.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -175.75 18.85 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 123.525 0.516 . . . . 0.0 111.518 -168.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.468 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 26.7 t -64.24 -32.71 74.41 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -176.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.23 -25.72 67.97 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.74 0.416 . . . . 0.0 111.924 171.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.07 -0.49 51.42 Favored Glycine 0 C--N 1.35 1.356 0 N-CA-C 114.507 0.563 . . . . 0.0 114.507 173.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.87 170.55 5.28 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.544 0.738 . . . . 0.0 111.887 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -97.33 160.3 14.41 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 121.999 -0.438 . . . . 0.0 110.221 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.404 HG23 HD13 ' B' ' 42' ' ' ILE . 25.2 m -114.8 99.07 7.22 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.427 0.691 . . . . 0.0 109.322 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 t -100.03 132.04 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.574 1.149 . . . . 0.0 109.915 -176.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -110.11 110.41 21.29 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.513 0.725 . . . . 0.0 109.563 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 57' ' ' LEU . 2.5 mm? -89.23 -17.13 29.67 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.828 1.251 . . . . 0.0 112.893 -178.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.675 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 15.3 t -97.52 -1.92 42.99 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 118.328 -0.844 . . . . 0.0 111.971 -170.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 m -27.95 85.7 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.125 0 O-C-N 125.798 1.936 . . . . 0.0 113.557 -165.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.0 ttt -82.34 84.53 7.1 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 113.742 -1.572 . . . . 0.0 110.119 -163.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.2 m -145.23 -20.65 0.49 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.976 1.311 . . . . 0.0 109.983 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.22 0 C-N-CA 123.659 0.783 . . . . 0.0 109.968 -174.481 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.67 138.68 57.6 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.331 0.586 . . . . 0.0 110.831 167.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.54 174.89 12.03 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 124.949 1.3 . . . . 0.0 109.856 -171.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.545 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 90.5 m-85 -100.71 107.91 19.64 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.187 0.995 . . . . 0.0 109.458 -177.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -93.53 110.34 21.93 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -101.31 118.31 47.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.675 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 37.1 p90 -137.59 -177.74 4.93 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -127.42 156.05 42.68 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 166.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.465 ' HB3' ' HB2' ' B' ' 13' ' ' GLU . 23.0 t70 -84.64 161.99 19.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -49.68 -35.53 21.9 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.312 1.445 . . . . 0.0 112.063 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.38 9.48 0.79 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.071 0.948 . . . . 0.0 112.837 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.86 16.76 79.26 Favored Glycine 0 C--N 1.346 1.087 0 C-N-CA 124.986 1.279 . . . . 0.0 112.803 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.465 ' HB2' ' HB3' ' B' ' 9' ' ' ASP . 22.7 mm-40 -88.3 95.65 10.27 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.001 0.52 . . . . 0.0 111.038 -168.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.405 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 70.9 m-85 -55.26 114.04 1.63 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.464 0.65 . . . . 0.0 111.865 174.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -136.88 135.74 38.09 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 125.973 1.709 . . . . 0.0 107.869 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -123.53 169.77 11.08 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.158 0.504 . . . . 0.0 109.746 172.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -141.05 172.46 12.65 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.905 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -126.33 140.34 52.59 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 167.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -97.93 -177.61 3.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.836 -1.074 . . . . 0.0 111.316 -176.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -127.25 159.88 33.0 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.744 1.217 . . . . 0.0 107.769 173.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.2 p -50.76 -28.74 9.83 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.0 7.03 36.86 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.731 0.812 . . . . 0.0 111.265 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.12 33.96 43.27 Favored Glycine 0 C--N 1.347 1.173 0 C-N-CA 123.052 0.358 . . . . 0.0 112.744 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.403 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 41.1 mt-10 -109.12 124.8 51.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.599 0.76 . . . . 0.0 109.725 -174.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -78.09 134.29 37.74 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 171.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.459 ' HB2' ' HE2' ' B' ' 26' ' ' MET . 1.4 ppp? -116.88 -18.98 10.04 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.8 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.01 167.71 22.06 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.851 0.46 . . . . 0.0 111.898 162.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -174.76 -176.09 0.98 Allowed 'General case' 0 C--O 1.241 0.629 0 O-C-N 125.029 1.456 . . . . 0.0 111.563 -171.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t 93.14 -5.05 0.14 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.85 1.26 . . . . 0.0 113.465 156.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.571 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -81.58 -90.06 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.446 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 93.25 -16.22 61.1 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 112.302 -0.319 . . . . 0.0 112.302 -176.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 32.2 t80 74.72 -65.59 0.34 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.551 1.94 . . . . 0.0 111.401 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -149.97 -58.6 0.19 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.709 0.804 . . . . 0.0 109.995 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.12 -175.93 5.02 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.428 1.091 . . . . 0.0 108.206 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' B' ' 38' ' ' ALA . 0.0 OUTLIER -70.03 -41.83 73.75 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.136 0.88 . . . . 0.0 110.993 -176.166 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.56 88.87 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.788 0.435 . . . . 0.0 110.53 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 66.5 m -66.27 -24.29 66.54 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.608 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 35' ' ' LYS . . . -68.75 -43.69 75.33 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.341 0.656 . . . . 0.0 110.376 176.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 mp -56.54 -47.86 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 118.212 0.46 . . . . 0.0 110.199 172.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -56.67 -41.21 76.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 123.543 0.527 . . . . 0.0 111.46 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.7 -55.98 27.26 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.83 171.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 54' ' ' THR . 64.0 mt -58.65 -27.39 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.434 0.694 . . . . 0.0 112.06 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.4 ' HA ' ' HG2' ' B' ' 46' ' ' LYS . 45.4 mt-10 -66.92 -29.41 69.28 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.819 0.448 . . . . 0.0 110.67 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.8 m -57.97 -40.09 79.74 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.658 0.599 . . . . 0.0 111.515 169.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.545 HG21 ' HZ ' ' B' ' 4' ' ' PHE . 4.5 mm -68.55 -44.51 82.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -174.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 9.4 mmmm -59.58 -23.37 62.88 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 114.722 -1.126 . . . . 0.0 113.215 -175.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -64.36 -55.82 18.55 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.322 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -176.28 18.55 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 122.986 0.514 . . . . 0.0 111.648 -167.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.462 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.4 t -64.97 -32.66 74.49 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 121.527 -0.733 . . . . 0.0 112.421 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.7 -24.9 67.9 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 122.799 0.44 . . . . 0.0 111.743 171.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.08 -1.08 51.48 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 114.504 0.562 . . . . 0.0 114.504 173.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.95 170.63 5.27 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.659 0.784 . . . . 0.0 111.745 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.92 160.58 14.21 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 122.014 -0.429 . . . . 0.0 110.395 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 26.3 m -114.97 99.32 7.37 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.545 0.738 . . . . 0.0 109.433 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.1 t -100.3 131.92 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.774 1.23 . . . . 0.0 109.709 -176.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -109.74 109.93 20.78 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.733 0.813 . . . . 0.0 109.724 176.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.421 HD22 ' N ' ' B' ' 57' ' ' LEU . 2.6 mm? -89.02 -18.31 27.61 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.962 1.305 . . . . 0.0 112.883 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.646 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 7.8 t -80.54 16.94 1.2 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.954 0.407 . . . . 0.0 111.973 -172.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 64.0 p -74.69 -36.07 62.76 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 167.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 17.0 tpt -96.17 95.26 8.02 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.007 0.923 . . . . 0.0 109.226 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 21.8 p -136.09 118.22 15.46 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.418 1.087 . . . . 0.0 109.382 176.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.185 0 C-N-CA 123.97 0.908 . . . . 0.0 108.871 -177.461 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.464 ' SD ' ' ND2' ' B' ' 48' ' ' ASN . 51.8 ttm . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.558 0.218 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -67.4 165.77 15.88 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.545 0.738 . . . . 0.0 112.714 173.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.19 179.34 7.99 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.916 -167.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -100.51 124.9 46.67 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 124.189 0.996 . . . . 0.0 109.086 177.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -101.23 104.53 15.58 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.748 0.419 . . . . 0.0 110.381 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.5 mt -95.32 126.65 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.544 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 13.4 p90 -154.25 -174.02 4.8 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -127.31 164.39 21.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 165.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -113.33 176.19 5.13 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -39.14 -39.37 0.58 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 127.305 2.242 . . . . 0.0 114.245 -173.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.4 8.56 3.33 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.56 25.14 71.4 Favored Glycine 0 C--N 1.357 1.737 0 C-N-CA 124.1 0.857 . . . . 0.0 112.124 -174.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -98.6 123.88 43.05 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -172.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -83.0 128.03 34.1 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -173.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.19 137.46 30.83 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 114.421 -1.263 . . . . 0.0 108.88 176.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -106.96 161.12 15.01 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.233 0.54 . . . . 0.0 110.007 169.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.508 ' HG3' ' HE1' ' A' ' 7' ' ' TYR . 59.0 mtp180 -113.71 164.9 13.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.136 1.374 . . . . 0.0 107.913 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.552 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 17.2 t80 -124.97 127.19 46.65 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 156.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -98.46 -179.4 4.32 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.155 -171.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.93 158.36 39.74 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.579 1.152 . . . . 0.0 108.636 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.8 p -46.03 -39.24 8.88 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -88.79 1.13 55.76 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.235 0.614 . . . . 0.0 111.57 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.18 23.38 32.27 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 123.235 0.445 . . . . 0.0 113.988 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -83.24 154.63 24.09 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 173.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.9 m -110.78 138.69 46.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 168.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.552 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.7 ppp? -115.62 -31.91 5.7 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.374 0.67 . . . . 0.0 111.003 -175.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.482 ' N ' ' SD ' ' A' ' 26' ' ' MET . 1.3 p90 -143.69 159.77 41.89 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.526 0.679 . . . . 0.0 109.491 165.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.3 p -170.53 -177.86 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.464 -1.698 . . . . 0.0 109.782 176.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t 68.3 39.05 2.37 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.223 0.609 . . . . 0.0 112.027 156.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -72.57 -33.07 66.51 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.729 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.67 52.47 42.49 Favored Glycine 0 C--N 1.359 1.827 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 176.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -71.08 -65.94 0.68 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.403 0.281 . . . . 0.0 110.391 -162.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -167.73 -71.05 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.035 0.445 . . . . 0.0 110.381 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -140.17 179.78 6.43 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.78 0.832 . . . . 0.0 109.727 -172.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.493 ' NZ ' HG23 ' B' ' 58' ' ' THR . 17.7 ttmm -65.59 -50.4 65.24 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.459 0.572 . . . . 0.0 111.004 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.31 81.32 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.898 0.479 . . . . 0.0 111.018 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 15.4 m -66.22 -35.62 80.92 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.794 176.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.32 77.43 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 123.709 0.804 . . . . 0.0 110.788 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -56.06 -48.2 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.271 0.628 . . . . 0.0 111.58 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -59.04 -38.54 79.57 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 123.528 0.518 . . . . 0.0 111.183 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' HB1' ' HE2' ' B' ' 26' ' ' MET . . . -59.17 -57.45 12.99 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.008 172.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.17 -26.59 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.032 0.533 . . . . 0.0 111.707 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 36.6 mt-10 -64.86 -34.28 78.01 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-O 119.047 -0.501 . . . . 0.0 110.14 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 33.5 m -53.33 -40.3 64.75 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 124.103 0.877 . . . . 0.0 111.749 171.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.549 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.5 mm -67.45 -44.34 86.9 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -175.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.557 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 8.4 mmmm -61.66 -29.44 70.07 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.206 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.9 mmt180 -62.49 -52.8 62.05 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 124.256 0.972 . . . . 0.0 112.226 -174.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -171.99 15.74 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -168.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.549 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 17.4 t -67.58 -36.12 80.31 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.513 -0.742 . . . . 0.0 112.992 -172.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.555 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -62.05 -27.88 69.21 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 122.507 0.323 . . . . 0.0 111.598 173.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.69 -3.34 56.19 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-O 119.457 -0.635 . . . . 0.0 113.953 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.44 164.83 15.51 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.771 0.829 . . . . 0.0 111.376 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -90.53 157.13 17.69 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.484 0.313 . . . . 0.0 110.359 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 m -115.08 99.77 7.68 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.673 0.789 . . . . 0.0 109.67 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 81.3 t -104.13 130.6 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.026 1.33 . . . . 0.0 110.426 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.523 ' HB3' ' HG2' ' A' ' 60' ' ' MET . 16.9 t70 -109.65 123.19 49.04 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.283 0.563 . . . . 0.0 111.068 174.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 57' ' ' LEU . 2.3 mm? -94.67 -21.83 18.54 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.827 1.251 . . . . 0.0 113.008 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.621 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 13.1 t -88.99 -15.55 33.9 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 119.239 0.927 . . . . 0.0 112.805 -167.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.5 p -145.13 -92.58 0.1 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 118.241 -0.885 . . . . 0.0 109.533 -173.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.523 ' HG2' ' HB3' ' A' ' 56' ' ' ASP . 15.9 mmt 44.28 -84.95 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 125.098 1.359 . . . . 0.0 114.196 -176.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.9 p -68.02 122.58 18.54 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 123.965 0.906 . . . . 0.0 111.713 -170.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 C-N-CA 123.59 0.756 . . . . 0.0 110.212 177.563 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.0 ttm . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -151.24 170.92 18.31 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.455 0.702 . . . . 0.0 111.284 174.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -165.31 179.44 6.23 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.672 -167.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.445 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 96.2 m-85 -100.21 124.6 45.84 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.453 1.101 . . . . 0.0 109.063 177.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -101.14 104.49 15.58 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.097 0.559 . . . . 0.0 110.203 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 14.4 mt -95.92 126.64 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.621 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 47.4 p90 -153.96 -174.37 4.93 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.125 0.488 . . . . 0.0 109.771 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -126.79 164.16 21.98 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 164.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.75 177.93 4.49 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -41.13 -38.95 1.15 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 127.03 2.132 . . . . 0.0 113.827 -174.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.58 7.66 4.32 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.436 0.694 . . . . 0.0 112.793 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.64 25.32 72.83 Favored Glycine 0 C--N 1.355 1.604 0 C-N-CA 124.022 0.82 . . . . 0.0 112.471 -174.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -100.72 112.77 25.24 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -66.64 125.36 25.56 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.601 ' HB3' ' HA ' ' B' ' 29' ' ' SER . 0.7 OUTLIER -140.46 137.28 33.78 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.715 176.393 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -107.27 161.36 14.86 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 120.998 0.427 . . . . 0.0 110.157 167.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.6 ' HG3' ' HE1' ' B' ' 7' ' ' TYR . 60.7 mtt180 -113.5 165.39 12.53 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.933 1.293 . . . . 0.0 108.463 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.547 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.8 t80 -125.25 127.28 46.48 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 157.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -98.45 -179.16 4.25 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.336 -171.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.15 158.46 39.62 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.601 -1.182 . . . . 0.0 108.43 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.1 m -46.47 -38.72 9.58 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 124.94 1.296 . . . . 0.0 114.479 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.416 HD21 ' HG2' ' B' ' 24' ' ' GLU . 1.4 p-10 -90.28 1.78 56.15 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 122.704 0.401 . . . . 0.0 111.791 -176.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.39 22.03 33.12 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 114.189 0.436 . . . . 0.0 114.189 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.416 ' HG2' HD21 ' B' ' 22' ' ' ASN . 50.8 mm-40 -83.0 154.51 24.43 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.71 0.404 . . . . 0.0 110.115 172.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 34.1 m -110.35 138.03 47.28 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 168.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.547 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.8 ppp? -114.88 -31.85 5.97 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.159 0.584 . . . . 0.0 111.079 -175.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.466 ' N ' ' SD ' ' B' ' 26' ' ' MET . 1.3 p90 -143.75 159.67 42.09 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.416 0.627 . . . . 0.0 109.523 165.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.425 ' HB3' ' HG2' ' B' ' 17' ' ' ARG . 71.5 p -170.3 -177.7 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 113.504 -1.68 . . . . 0.0 109.745 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.601 ' HA ' ' HB3' ' B' ' 15' ' ' ARG . 17.4 m 67.8 38.72 2.83 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.177 155.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.22 -32.72 67.0 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.653 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.61 51.94 47.4 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -70.86 -65.82 0.69 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 122.346 0.259 . . . . 0.0 110.371 -162.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -167.73 -71.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.593 0.357 . . . . 0.0 110.603 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.413 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -139.62 179.75 6.38 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.617 0.767 . . . . 0.0 109.597 -172.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -64.15 -51.42 63.96 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.317 0.647 . . . . 0.0 111.234 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.67 81.34 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.28 0.632 . . . . 0.0 110.964 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.413 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 13.6 m -66.95 -35.71 80.58 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.533 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.47 80.41 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 123.526 0.731 . . . . 0.0 110.692 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.51 -47.82 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.369 0.668 . . . . 0.0 111.33 174.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -58.34 -39.14 78.67 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 123.598 0.561 . . . . 0.0 111.288 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -58.88 -57.89 11.04 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.956 172.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.425 HG22 ' HD3' ' B' ' 46' ' ' LYS . 63.8 mt -56.39 -27.44 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.358 0.663 . . . . 0.0 111.653 178.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 41.8 mt-10 -64.21 -34.74 78.79 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 118.866 -0.587 . . . . 0.0 109.869 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 16.5 m -53.2 -40.16 64.23 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 124.06 0.85 . . . . 0.0 111.773 171.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.7 mm -67.45 -44.24 86.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -175.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 7.6 mmmm -62.81 -28.64 70.14 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.812 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 32.7 mmt180 -62.27 -53.38 55.98 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.924 0.765 . . . . 0.0 111.714 -174.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.464 ' ND2' ' SD ' ' A' ' 1' ' ' MET . 5.2 t30 -171.51 15.53 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -168.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.568 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 12.7 t -67.24 -35.77 80.24 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.328 -0.857 . . . . 0.0 113.016 -172.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -62.24 -27.63 69.13 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 122.582 0.353 . . . . 0.0 111.785 173.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.96 -3.76 55.76 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-O 119.606 -0.552 . . . . 0.0 113.871 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.41 165.05 15.0 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.714 0.806 . . . . 0.0 111.402 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.43 157.87 16.82 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 39.2 m -115.5 100.17 7.88 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.643 0.777 . . . . 0.0 109.417 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 87.2 t -104.18 130.72 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.801 1.241 . . . . 0.0 110.414 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -109.19 122.03 46.43 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.542 0.737 . . . . 0.0 110.755 174.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.414 HD22 ' N ' ' B' ' 57' ' ' LEU . 2.5 mm? -94.34 -21.71 18.81 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.892 1.277 . . . . 0.0 112.852 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.544 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 10.3 t -85.92 -4.43 59.16 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 118.412 0.551 . . . . 0.0 111.525 -170.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 47.0 p 33.31 -77.72 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 127.084 2.154 . . . . 0.0 115.083 -177.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -67.26 164.38 18.44 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.193 0.597 . . . . 0.0 111.003 175.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 44.0 p -109.48 145.66 35.86 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.37 0.668 . . . . 0.0 110.17 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 C-N-CA 123.67 0.788 . . . . 0.0 109.183 178.384 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.52 167.95 9.95 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.311 0.577 . . . . 0.0 111.681 171.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.7 OUTLIER -162.88 178.38 8.45 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.216 -170.782 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.429 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 91.2 m-85 -99.09 121.73 41.37 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 114.821 -1.082 . . . . 0.0 108.84 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -95.93 110.84 22.98 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mt -100.99 121.99 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.661 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 35.2 p90 -143.07 -178.42 5.83 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.122 0.486 . . . . 0.0 109.766 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.508 ' HA ' ' HA ' ' A' ' 14' ' ' TYR . 10.7 pt20 -121.84 150.0 42.55 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.21 -1.034 . . . . 0.0 108.21 166.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -84.06 161.02 20.83 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 177.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -52.93 -35.42 58.47 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.608 1.163 . . . . 0.0 111.829 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.17 6.37 0.56 Allowed 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 123.71 0.804 . . . . 0.0 113.011 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.451 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 72.42 17.5 77.76 Favored Glycine 0 C--N 1.349 1.277 0 C-N-CA 125.061 1.315 . . . . 0.0 113.195 -176.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 41.0 mt-10 -96.49 98.7 10.44 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -170.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 96.0 m-85 -51.19 114.47 1.21 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.701 0.8 . . . . 0.0 112.695 176.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 17.6 mmt180 -128.53 134.5 48.68 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 113.308 -1.769 . . . . 0.0 108.379 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -118.93 164.75 14.99 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.125 0.488 . . . . 0.0 109.917 170.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -142.21 170.73 15.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.398 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.518 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 16.6 t80 -124.79 135.02 52.59 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 173.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -101.47 -178.92 3.87 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.444 -173.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.78 154.95 47.46 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.012 -1.449 . . . . 0.0 107.85 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.6 p -47.75 -25.29 1.19 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -176.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -99.95 11.79 38.41 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.189 0.596 . . . . 0.0 111.658 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.44 16.79 72.83 Favored Glycine 0 N--CA 1.471 1.023 0 N-CA-C 114.616 0.606 . . . . 0.0 114.616 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -85.03 152.18 23.62 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.896 0.478 . . . . 0.0 110.228 175.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.5 m -108.39 147.1 32.05 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.439 0.696 . . . . 0.0 109.384 172.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.518 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 2.0 ppp? -122.02 -32.23 3.75 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.814 0.846 . . . . 0.0 112.058 -176.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.441 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 2.1 p90 -142.29 155.44 45.21 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 167.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.416 ' H ' ' HB3' ' B' ' 30' ' ' GLU . 49.2 m -154.24 176.88 11.75 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.67 1.188 . . . . 0.0 110.241 176.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.472 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 49.7 m 62.36 49.29 4.26 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 150.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HB3' ' H ' ' B' ' 28' ' ' SER . 0.0 OUTLIER -68.26 -42.75 79.19 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.195 170.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.37 53.9 36.04 Favored Glycine 0 C--N 1.354 1.574 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -75.07 -59.33 2.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.426 0.29 . . . . 0.0 110.225 -166.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -167.01 -65.04 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 120.838 0.351 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.04 179.15 8.73 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.574 0.75 . . . . 0.0 109.457 -171.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -43.45 75.39 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.729 0.412 . . . . 0.0 110.659 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.8 -42.31 79.28 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.336 0.589 . . . . 0.0 110.311 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 m -69.84 -29.22 66.43 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.788 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.86 63.5 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 123.633 0.773 . . . . 0.0 110.47 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -55.48 -50.7 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.255 0.622 . . . . 0.0 110.668 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -57.78 -39.85 78.43 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 123.633 0.583 . . . . 0.0 111.746 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -58.46 -57.34 13.39 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.736 172.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.91 -26.46 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.684 0.794 . . . . 0.0 111.959 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.56 -31.67 72.52 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 119.309 -0.377 . . . . 0.0 110.491 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 19.9 m -53.66 -39.56 65.17 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 123.52 0.512 . . . . 0.0 111.612 168.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.553 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.6 mm -71.02 -45.66 71.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.135 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.8 mmmm -59.06 -30.69 68.24 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.386 1.074 . . . . 0.0 112.254 -178.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -58.44 -69.42 0.19 Allowed 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.885 -1.507 . . . . 0.0 112.654 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -157.79 16.47 0.24 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -171.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.553 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 13.7 t -66.22 -32.62 74.15 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -172.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -60.66 -31.3 70.53 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.791 0.436 . . . . 0.0 111.944 171.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.28 -0.56 55.8 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-O 119.573 -0.57 . . . . 0.0 113.853 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.16 165.54 9.11 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.789 0.836 . . . . 0.0 111.453 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.569 ' HB2' ' HB3' ' B' ' 3' ' ' LYS . 6.2 m-20 -89.18 160.38 17.0 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.5 m -121.23 99.26 6.39 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 121.427 0.632 . . . . 0.0 109.837 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.6 t -100.43 127.07 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.061 1.344 . . . . 0.0 110.071 -175.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 12.6 t70 -108.09 122.5 47.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.563 0.745 . . . . 0.0 110.413 177.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -100.88 -14.09 18.09 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 124.823 1.249 . . . . 0.0 112.832 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.679 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.7 t -91.23 -10.06 42.97 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -170.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 p -70.71 -12.64 61.68 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 119.017 0.826 . . . . 0.0 111.861 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.529 ' HG3' HG23 ' A' ' 61' ' ' THR . 22.6 ptp -75.56 -30.24 59.64 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.17 0.588 . . . . 0.0 111.324 173.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.529 HG23 ' HG3' ' A' ' 60' ' ' MET . 37.3 p -97.44 -53.41 3.46 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.861 0.864 . . . . 0.0 110.591 -175.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 C-N-CA 124.272 1.029 . . . . 0.0 109.517 179.88 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.0 168.44 27.12 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.246 1.018 . . . . 0.0 109.465 175.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.569 ' HB3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -164.37 178.52 7.42 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.979 -168.304 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.444 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 95.5 m-85 -98.68 120.8 39.73 Favored 'General case' 0 C--O 1.228 -0.06 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.829 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -95.09 110.6 22.51 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.401 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 24.3 mt -100.49 122.4 52.41 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.679 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 39.6 p90 -142.76 -178.42 5.79 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.144 0.497 . . . . 0.0 109.819 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' B' ' 14' ' ' TYR . 11.0 pt20 -121.83 150.24 42.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 165.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.617 ' HB2' ' HD2' ' B' ' 15' ' ' ARG . 29.6 t70 -84.2 161.28 20.6 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 124.232 1.013 . . . . 0.0 108.567 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -34.32 58.8 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.471 1.108 . . . . 0.0 112.157 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.59 6.42 0.64 Allowed 'General case' 0 CA--C 1.566 1.581 0 C-N-CA 124.168 0.987 . . . . 0.0 113.132 172.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.497 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 72.23 17.49 77.46 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 124.82 1.2 . . . . 0.0 113.13 -176.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -96.7 99.0 10.62 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -170.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.519 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 93.2 m-85 -51.91 114.55 1.33 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.901 0.858 . . . . 0.0 112.753 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.617 ' HD2' ' HB2' ' B' ' 9' ' ' ASP . 93.7 mtt180 -129.69 134.34 47.59 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 113.314 -1.766 . . . . 0.0 109.283 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -118.59 164.17 15.72 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.483 0.658 . . . . 0.0 109.806 171.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -141.89 171.05 14.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.595 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.541 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.3 t80 -124.84 134.89 52.57 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 173.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -101.08 -179.2 3.97 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.372 -173.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.1 155.17 47.41 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.332 1.453 . . . . 0.0 107.77 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -48.24 -25.42 1.52 Allowed 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 -176.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -100.02 13.09 35.17 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.47 0.708 . . . . 0.0 112.447 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.44 16.72 75.31 Favored Glycine 0 N--CA 1.473 1.113 0 N-CA-C 114.324 0.49 . . . . 0.0 114.324 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -84.42 152.43 24.03 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.037 0.535 . . . . 0.0 110.479 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 53.2 m -108.8 147.47 32.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.502 0.721 . . . . 0.0 109.292 172.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.541 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.9 ppp? -122.45 -32.54 3.6 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.707 0.803 . . . . 0.0 111.721 -176.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.429 ' N ' ' SD ' ' B' ' 26' ' ' MET . 2.0 p90 -141.7 155.98 45.64 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 167.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.425 ' H ' ' HB3' ' A' ' 30' ' ' GLU . 66.9 p -155.32 176.76 12.16 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 124.685 1.241 . . . . 0.0 110.462 176.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 11.7 t 62.94 48.86 3.75 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 150.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -67.68 -42.53 81.95 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.23 170.613 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.85 53.42 37.83 Favored Glycine 0 C--N 1.354 1.537 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -176.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -74.94 -59.13 2.87 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.624 0.37 . . . . 0.0 110.308 -166.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -167.34 -65.03 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.784 0.434 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.64 178.58 9.45 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.625 0.77 . . . . 0.0 109.647 -171.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -70.09 -41.13 74.46 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 118.189 0.449 . . . . 0.0 111.073 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.44 81.67 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.108 0.48 . . . . 0.0 110.433 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 m -69.43 -29.34 67.03 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.877 177.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.11 -48.94 64.07 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 123.739 0.816 . . . . 0.0 110.485 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -55.65 -50.65 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.056 0.542 . . . . 0.0 110.938 173.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -58.05 -39.81 79.37 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 123.708 0.63 . . . . 0.0 111.241 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.31 -57.45 12.85 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.794 172.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.438 HG22 ' HD3' ' B' ' 46' ' ' LYS . 84.2 mt -56.75 -26.6 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.774 0.829 . . . . 0.0 111.837 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 39.5 mt-10 -66.22 -32.05 73.25 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-O 118.975 -0.536 . . . . 0.0 110.675 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 42.1 m -53.68 -39.37 65.07 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 123.943 0.777 . . . . 0.0 111.472 169.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.553 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 3.4 mm -70.95 -45.46 72.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.273 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.541 ' HG2' ' HA ' ' B' ' 43' ' ' GLU . 8.7 mmmm -59.99 -30.31 69.04 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.326 1.05 . . . . 0.0 111.69 -177.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 25.5 mmm180 -58.27 -70.29 0.15 Allowed 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 114.062 -1.427 . . . . 0.0 112.196 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -156.43 15.71 0.32 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 122.882 0.473 . . . . 0.0 111.931 -170.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.553 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 12.4 t -66.5 -32.29 73.56 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -171.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -60.46 -31.54 70.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.885 0.474 . . . . 0.0 111.863 171.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.9 0.43 55.12 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-O 119.497 -0.613 . . . . 0.0 114.007 175.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.24 165.17 9.82 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.826 0.85 . . . . 0.0 111.336 176.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 13.2 t70 -89.58 161.02 16.38 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -121.07 99.08 6.29 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 121.242 0.544 . . . . 0.0 109.824 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 79.7 t -99.75 127.38 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.118 1.367 . . . . 0.0 110.183 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -108.15 122.2 46.41 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.465 0.706 . . . . 0.0 110.323 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -100.82 -16.45 17.28 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.698 1.199 . . . . 0.0 112.642 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.661 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 6.9 t -84.83 -14.8 46.9 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 118.624 0.647 . . . . 0.0 112.509 -170.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.47 HG23 HG23 ' B' ' 58' ' ' THR . 31.1 p -128.72 -22.74 3.23 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.832 0.453 . . . . 0.0 110.188 -177.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 57.2 ttp -92.47 107.17 19.02 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 77.8 p 50.84 101.16 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.183 1.793 . . . . 0.0 113.562 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 C-N-CA 124.063 0.945 . . . . 0.0 108.971 -176.268 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttm . . . . . 0 N--CA 1.483 1.189 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.88 162.82 29.39 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.427 1.091 . . . . 0.0 109.517 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -162.77 175.28 11.45 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.789 -176.646 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -99.55 117.27 33.58 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.156 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -96.09 108.68 21.14 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' HB ' ' HA ' ' B' ' 56' ' ' ASP . 26.4 mt -99.72 122.82 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -176.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.605 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 50.1 p90 -138.45 -178.49 5.32 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 122.825 0.45 . . . . 0.0 109.959 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -127.05 152.74 46.87 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 167.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.568 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 27.3 t70 -100.23 179.81 4.36 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-O 118.591 -0.719 . . . . 0.0 109.632 -178.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -48.66 -36.8 16.8 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 125.639 1.576 . . . . 0.0 112.991 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.614 ' HB3' ' HG3' ' A' ' 13' ' ' GLU . . . -87.3 16.71 4.99 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.437 0.695 . . . . 0.0 111.224 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.26 21.71 77.31 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.442 -173.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.614 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 48.4 mt-10 -78.71 90.34 4.61 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.806 0.303 . . . . 0.0 110.643 -167.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -50.55 104.21 0.07 Allowed 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 122.639 1.209 . . . . 0.0 112.011 170.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -132.72 134.14 44.4 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 111.719 -2.491 . . . . 0.0 108.3 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -113.93 169.05 9.28 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.671 0.748 . . . . 0.0 109.95 171.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -142.04 169.54 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.175 -1.375 . . . . 0.0 110.109 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.435 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 23.1 t80 -126.84 140.89 52.02 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -95.68 -179.04 4.59 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.226 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.74 159.7 36.5 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.066 0.946 . . . . 0.0 108.682 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.3 m -55.37 -25.0 32.74 Favored 'General case' 0 CA--C 1.559 1.309 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -80.88 -12.82 59.35 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 123.325 0.65 . . . . 0.0 111.48 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.93 64.67 1.65 Allowed Glycine 0 C--N 1.341 0.853 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 -174.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -148.57 153.67 38.69 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.899 0.88 . . . . 0.0 109.066 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.9 m -89.85 136.12 33.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.413 0.625 . . . . 0.0 109.708 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.435 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.8 ppp? -115.92 -25.68 7.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 114.594 -1.184 . . . . 0.0 112.172 -174.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.414 ' HD2' ' HE1' ' A' ' 26' ' ' MET . 2.0 p90 -147.8 160.79 42.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 167.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.441 ' H ' ' HB3' ' B' ' 30' ' ' GLU . 67.8 p -166.26 -178.74 4.7 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.954 1.409 . . . . 0.0 110.123 177.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.2 m 62.85 35.03 13.9 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.004 0.922 . . . . 0.0 113.06 154.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' HB3' ' H ' ' B' ' 28' ' ' SER . 0.0 OUTLIER -58.38 -42.04 86.15 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.954 165.838 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.2 53.1 42.32 Favored Glycine 0 C--N 1.359 1.815 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -72.84 -57.16 4.28 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.575 0.221 . . . . 0.0 111.33 -162.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -168.38 -75.56 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.646 0.379 . . . . 0.0 110.987 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.5 -177.91 6.24 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.9 0.88 . . . . 0.0 108.823 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' NZ ' HG23 ' B' ' 58' ' ' THR . 17.7 ttmm -62.97 -46.27 88.5 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.162 0.892 . . . . 0.0 111.479 -175.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.4 -44.92 72.76 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.543 0.737 . . . . 0.0 110.972 177.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.2 m -72.52 -25.85 61.54 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.388 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.25 -54.5 17.19 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 123.292 0.637 . . . . 0.0 109.834 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.82 -48.39 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.682 0.793 . . . . 0.0 110.758 172.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -59.23 -42.0 90.02 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.344 0.658 . . . . 0.0 111.816 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -59.67 -53.14 61.43 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.412 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 90.6 mt -56.59 -28.46 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 C-N-CA 123.449 0.7 . . . . 0.0 111.675 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 10.4 mm-40 -64.79 -32.34 73.98 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 118.928 -0.558 . . . . 0.0 110.763 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 7.6 m -53.73 -40.46 66.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 123.698 0.624 . . . . 0.0 111.276 169.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.471 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 2.9 mm -70.95 -46.5 67.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -175.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.501 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 10.5 mmmm -60.45 -21.66 62.57 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.302 1.041 . . . . 0.0 113.327 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 39.4 mmt-85 -60.84 -71.78 0.13 Allowed 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.195 0.934 . . . . 0.0 111.408 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -162.67 22.59 0.1 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.316 0.646 . . . . 0.0 109.635 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.471 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 27.1 t -61.87 -27.94 69.15 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -173.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -61.57 -32.17 72.25 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 122.514 0.326 . . . . 0.0 111.479 170.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 2.63 58.25 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.626 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.45 178.37 0.56 Allowed 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.774 0.787 . . . . 0.0 111.876 174.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -107.17 157.33 17.95 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.929 0.492 . . . . 0.0 109.724 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 m -119.66 110.63 17.07 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.391 0.676 . . . . 0.0 109.903 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -110.09 130.84 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.002 1.321 . . . . 0.0 110.1 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' HA ' ' HB ' ' B' ' 6' ' ' ILE . 11.7 t70 -107.82 112.74 25.53 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 122.805 0.442 . . . . 0.0 110.449 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.29 -22.19 28.68 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.025 1.33 . . . . 0.0 112.47 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.644 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 11.6 t -92.54 8.84 37.08 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.015 0.436 . . . . 0.0 112.171 -171.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -78.57 -23.25 46.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.968 0.507 . . . . 0.0 110.056 169.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.9 ttt -73.91 -47.02 40.84 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.507 0.504 . . . . 0.0 110.048 173.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.4 p -78.79 156.0 28.99 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.197 0.599 . . . . 0.0 110.637 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.45 ' O ' ' HA ' ' B' ' 21' ' ' SER . 42.1 ttm . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.33 171.32 7.93 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.422 1.089 . . . . 0.0 110.112 -179.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.68 176.1 7.44 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.339 0.656 . . . . 0.0 111.232 -178.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -99.59 117.39 33.86 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.3 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -95.93 107.9 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.423 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 29.9 mt -99.49 123.04 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -176.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.644 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 44.6 p90 -138.79 -179.2 5.68 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 122.859 0.464 . . . . 0.0 109.978 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.528 HE21 ' HA2' ' B' ' 12' ' ' GLY . 13.9 pt20 -126.7 152.19 47.12 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 167.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -100.36 -179.36 4.09 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.724 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -36.52 14.14 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 125.443 1.497 . . . . 0.0 113.462 -175.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.655 ' HB3' ' HG3' ' B' ' 13' ' ' GLU . . . -89.15 17.45 5.92 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.849 -177.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.528 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 69.66 22.46 76.73 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.654 -173.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.655 ' HG3' ' HB3' ' B' ' 11' ' ' ALA . 42.2 mt-10 -78.78 93.12 4.91 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.422 0.289 . . . . 0.0 110.663 -167.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -54.63 105.09 0.13 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 122.489 1.138 . . . . 0.0 112.024 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -132.85 134.13 44.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 112.142 -2.299 . . . . 0.0 108.226 -176.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -113.96 168.82 9.48 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-O 121.657 0.742 . . . . 0.0 110.048 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -141.37 169.77 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.098 -1.41 . . . . 0.0 110.093 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.458 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 24.0 t80 -126.9 140.76 52.1 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 173.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -95.53 -179.42 4.75 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.284 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.78 159.78 36.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.899 0.88 . . . . 0.0 108.678 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' B' ' 1' ' ' MET . 19.1 m -55.47 -24.66 32.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -81.91 -11.52 58.86 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.037 0.535 . . . . 0.0 111.747 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.51 65.31 1.68 Allowed Glycine 0 C--N 1.342 0.869 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.943 -174.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -146.46 155.58 42.65 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 172.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.9 m -90.75 136.77 32.85 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.367 0.603 . . . . 0.0 109.757 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.458 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 1.8 ppp? -116.24 -26.24 7.27 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.061 -174.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.404 ' HD2' ' SD ' ' B' ' 26' ' ' MET . 1.8 p90 -147.18 160.9 41.9 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 167.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' A' ' 30' ' ' GLU . 88.5 p -165.85 -177.96 4.53 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.918 1.386 . . . . 0.0 110.127 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 91.5 p 62.21 35.06 15.69 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.176 0.991 . . . . 0.0 113.125 153.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.441 ' HB3' ' H ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -58.9 -41.65 87.74 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.935 166.147 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.33 53.38 39.83 Favored Glycine 0 C--N 1.359 1.861 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -73.21 -56.66 4.79 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 122.147 0.179 . . . . 0.0 111.33 -162.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -168.85 -75.31 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.653 0.381 . . . . 0.0 110.918 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.07 -177.76 6.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.047 0.939 . . . . 0.0 108.968 -175.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -45.11 93.5 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.209 0.913 . . . . 0.0 111.416 -175.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.55 81.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.208 0.603 . . . . 0.0 110.638 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 51.0 m -71.62 -26.2 62.47 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.439 0.695 . . . . 0.0 111.518 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.25 -54.75 15.47 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.144 0.578 . . . . 0.0 109.773 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.47 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 2.2 mp -53.07 -48.67 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.766 0.826 . . . . 0.0 110.745 172.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -60.2 -41.08 92.24 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.416 0.686 . . . . 0.0 112.127 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.411 ' HB1' ' HE2' ' A' ' 26' ' ' MET . . . -59.83 -53.42 58.19 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.406 HG22 ' HD3' ' B' ' 46' ' ' LYS . 89.6 mt -56.04 -28.39 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 123.416 0.686 . . . . 0.0 111.743 176.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 50.1 mt-10 -65.62 -31.79 73.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 119.456 -0.307 . . . . 0.0 110.502 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 32.0 m -54.06 -40.1 66.84 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 120.947 0.403 . . . . 0.0 111.06 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.471 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 2.6 mm -71.1 -46.46 66.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.736 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.0 mmmm -61.56 -20.89 63.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.081 0.952 . . . . 0.0 112.885 -176.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 15.8 mmm180 -60.38 -72.17 0.12 Allowed 'General case' 0 CA--C 1.549 0.941 0 O-C-N 124.142 0.901 . . . . 0.0 111.393 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -162.85 22.94 0.09 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.628 0.771 . . . . 0.0 109.413 -174.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.471 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.1 t -61.5 -28.16 69.11 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -174.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -61.18 -32.52 72.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.668 0.387 . . . . 0.0 111.431 170.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.87 2.65 58.44 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 113.723 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.34 178.01 0.59 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.629 0.771 . . . . 0.0 111.988 174.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.458 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 37.2 t70 -106.77 157.14 17.96 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.751 0.42 . . . . 0.0 110.013 177.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -119.09 110.59 17.25 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.236 0.614 . . . . 0.0 109.89 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -110.09 131.04 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 124.809 1.244 . . . . 0.0 110.29 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 6' ' ' ILE . 18.6 t70 -107.4 112.18 24.86 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.223 0.609 . . . . 0.0 110.517 176.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 48.2 mt -85.19 -24.4 27.91 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.744 1.218 . . . . 0.0 113.134 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.605 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 7.3 t -83.5 7.87 15.73 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 118.393 0.542 . . . . 0.0 112.212 -169.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -19.73 62.73 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 123.243 0.617 . . . . 0.0 111.314 174.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 17.6 ptt? -98.75 78.89 2.37 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.899 0.879 . . . . 0.0 109.643 170.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 16.7 p -79.68 -58.3 3.25 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.077 0.551 . . . . 0.0 110.785 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.511 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -67.4 151.57 47.19 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 123.117 0.567 . . . . 0.0 110.655 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.92 176.43 10.18 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.35 -161.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' HZ ' HG21 ' A' ' 45' ' ' ILE . 74.4 m-85 -103.1 113.68 27.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.678 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -95.45 109.29 21.5 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -98.86 117.55 44.1 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.545 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 41.6 p90 -135.93 179.35 6.4 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.56 0.695 . . . . 0.0 109.489 178.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -123.44 147.17 47.41 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 165.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.61 161.72 23.38 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 124.505 1.122 . . . . 0.0 108.175 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -34.8 39.12 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 124.496 1.122 . . . . 0.0 111.733 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.46 5.74 0.54 Allowed 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.515 1.126 . . . . 0.0 113.34 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.54 28.56 73.12 Favored Glycine 0 C--N 1.351 1.373 0 C-N-CA 124.312 0.958 . . . . 0.0 112.592 -176.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -110.03 109.27 19.78 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.025 0.53 . . . . 0.0 110.793 -171.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.445 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 89.9 m-85 -59.17 119.52 7.49 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.81 136.41 38.8 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.023 1.329 . . . . 0.0 107.779 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -122.1 173.41 7.58 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-O 121.022 0.439 . . . . 0.0 109.834 168.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -144.34 169.61 17.59 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.24 -1.345 . . . . 0.0 110.499 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.436 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 18.0 t80 -122.14 134.36 54.74 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 168.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -100.24 -179.27 4.08 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.868 -172.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.633 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -126.64 177.95 6.21 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 171.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 p -71.99 -26.98 62.46 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 118.451 0.568 . . . . 0.0 111.008 -160.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -102.54 7.59 40.08 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.614 0.366 . . . . 0.0 111.643 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.27 17.97 20.72 Favored Glycine 0 C--N 1.349 1.299 0 N-CA-C 114.894 0.718 . . . . 0.0 114.894 175.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.633 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 15.5 mp0 -78.64 156.0 29.27 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 m -121.42 135.33 55.07 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 171.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.5 ppp? -113.25 -18.23 12.14 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.472 -0.785 . . . . 0.0 112.0 -175.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.625 ' HB2' ' HG2' ' B' ' 30' ' ' GLU . 0.1 OUTLIER -164.46 167.37 19.59 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 162.374 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 p -174.3 -175.81 1.03 Allowed 'General case' 0 N--CA 1.472 0.632 0 O-C-N 124.979 1.424 . . . . 0.0 111.679 -168.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.7 m 89.43 5.53 0.14 Allowed 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 156.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.752 ' HG3' ' H ' ' A' ' 32' ' ' TYR . 8.2 tp10 -97.0 -84.36 0.37 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.445 ' HA3' ' O ' ' A' ' 14' ' ' TYR . . . 92.13 -12.36 69.79 Favored Glycine 0 C--N 1.354 1.544 0 CA-C-O 120.055 -0.303 . . . . 0.0 112.704 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.752 ' H ' ' HG3' ' A' ' 30' ' ' GLU . 15.2 t80 75.65 -65.98 0.3 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.394 1.877 . . . . 0.0 111.32 175.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -154.21 -61.35 0.13 Allowed 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.255 0.55 . . . . 0.0 109.89 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' H ' ' HB2' ' A' ' 37' ' ' SER . . . -139.43 -174.78 3.97 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.934 1.294 . . . . 0.0 108.753 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -68.09 -50.09 57.14 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 118.71 0.686 . . . . 0.0 110.142 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.04 -46.7 71.98 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.075 0.55 . . . . 0.0 110.797 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.45 ' HB2' ' H ' ' A' ' 34' ' ' ALA . 4.9 m -65.89 -28.8 69.22 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.379 177.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.41 -46.78 72.22 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.398 0.679 . . . . 0.0 110.693 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 2.4 mp -55.54 -48.56 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-O 119.354 -0.355 . . . . 0.0 110.839 172.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -57.67 -39.48 77.19 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.165 0.586 . . . . 0.0 111.132 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.43 -53.72 55.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.939 172.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.459 ' O ' ' HD2' ' A' ' 46' ' ' LYS . 58.4 mt -59.43 -26.95 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.234 0.614 . . . . 0.0 111.99 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 44.8 mt-10 -67.0 -31.79 72.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 119.415 -0.326 . . . . 0.0 110.128 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.1 m -55.78 -37.59 68.76 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 123.669 0.606 . . . . 0.0 111.52 171.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.51 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.7 mm -69.67 -43.36 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.557 -175.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -59.1 -24.97 63.41 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.211 1.004 . . . . 0.0 112.95 179.028 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -64.99 -52.88 53.74 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.168 0.587 . . . . 0.0 111.998 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -176.89 16.65 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 123.632 0.582 . . . . 0.0 111.896 -170.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 23.9 t -65.8 -31.82 73.0 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.279 -0.888 . . . . 0.0 112.48 -173.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.21 71.31 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.175 0.297 . . . . 0.0 111.687 170.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.26 3.43 64.03 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-O 119.427 -0.652 . . . . 0.0 114.127 176.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.69 164.73 13.88 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.374 0.669 . . . . 0.0 111.608 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -89.37 156.52 18.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.0 m -110.31 98.13 7.43 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 174.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.1 t -97.19 127.35 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.876 0.87 . . . . 0.0 109.596 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -108.8 111.44 23.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.056 0.542 . . . . 0.0 110.438 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 57' ' ' LEU . 1.9 mm? -93.47 -15.84 25.14 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.849 1.26 . . . . 0.0 112.044 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.589 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 6.7 t -86.73 8.18 23.66 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.147 0.498 . . . . 0.0 112.269 -175.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.27 -17.33 61.34 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 122.735 0.414 . . . . 0.0 110.073 166.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 27.9 ttt -88.91 -56.68 3.19 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 123.563 0.745 . . . . 0.0 109.633 173.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.1 p -69.59 147.06 51.22 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.241 0.617 . . . . 0.0 111.201 -173.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -176.508 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttp . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.069 0.461 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -69.11 160.32 31.27 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.118 170.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.1 176.08 7.96 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.04 -166.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.439 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 76.5 m-85 -103.15 113.5 27.03 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.267 1.027 . . . . 0.0 109.556 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -95.69 109.04 21.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.088 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.7 mt -98.23 118.05 44.11 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 -175.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.589 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 43.1 p90 -136.23 179.64 6.23 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.429 0.633 . . . . 0.0 109.296 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.436 HE21 ' HA2' ' B' ' 12' ' ' GLY . 9.4 pt20 -123.93 147.4 47.74 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 165.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -81.55 161.24 23.64 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -50.99 -35.43 33.79 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.878 1.271 . . . . 0.0 111.295 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.89 6.34 0.52 Allowed 'General case' 0 CA--C 1.567 1.625 0 C-N-CA 124.159 0.984 . . . . 0.0 113.157 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.436 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 68.68 28.29 73.24 Favored Glycine 0 C--N 1.349 1.294 0 C-N-CA 124.597 1.094 . . . . 0.0 112.911 -176.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -109.83 118.7 37.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.664 0.386 . . . . 0.0 110.326 -170.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.443 ' O ' ' HA3' ' B' ' 31' ' ' GLY . 85.7 m-85 -73.77 121.11 20.31 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -172.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' B' ' 14' ' ' TYR . 29.1 mmt180 -136.25 135.84 39.36 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -122.11 173.66 7.42 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 168.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -145.0 170.48 16.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 114.403 -1.272 . . . . 0.0 111.183 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.439 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 17.5 t80 -122.54 133.95 54.56 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 170.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -99.87 -178.64 3.92 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.983 -171.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.619 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -127.9 165.21 20.64 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.982 1.313 . . . . 0.0 107.828 172.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -51.31 -33.43 29.0 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -172.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -101.61 6.49 42.1 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 118.104 0.411 . . . . 0.0 111.991 -176.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.19 17.99 18.54 Favored Glycine 0 C--N 1.349 1.29 0 N-CA-C 114.802 0.681 . . . . 0.0 114.802 176.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.619 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 9.0 mp0 -79.05 155.84 28.63 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 117.252 0.526 . . . . 0.0 109.747 176.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 89.0 m -120.85 135.92 55.05 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 171.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.446 ' HB2' ' HE2' ' B' ' 26' ' ' MET . 1.5 ppp? -114.0 -18.45 11.72 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.847 -175.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.4 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -163.79 167.11 21.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 161.776 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -173.59 -176.61 1.3 Allowed 'General case' 0 CA--C 1.541 0.62 0 O-C-N 125.257 1.598 . . . . 0.0 110.674 -168.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m 90.6 7.85 0.08 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 155.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.625 ' HG2' ' HB2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -98.67 -85.44 0.38 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.085 0.554 . . . . 0.0 109.925 176.603 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' B' ' 14' ' ' TYR . . . 91.57 -10.74 73.99 Favored Glycine 0 C--N 1.346 1.108 0 C-N-CA 123.715 0.674 . . . . 0.0 112.515 -176.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 20.5 t80 74.24 -66.81 0.28 Allowed 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.166 1.786 . . . . 0.0 111.473 176.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -153.12 -61.21 0.14 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.106 0.479 . . . . 0.0 110.439 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.498 ' H ' ' HB2' ' B' ' 37' ' ' SER . . . -139.03 -174.73 3.93 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.773 1.229 . . . . 0.0 108.513 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -68.14 -50.18 56.26 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 118.664 0.666 . . . . 0.0 110.299 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.95 -46.92 71.73 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.234 0.614 . . . . 0.0 110.581 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.498 ' HB2' ' H ' ' B' ' 34' ' ' ALA . 10.3 m -65.68 -28.8 69.34 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.274 178.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.41 72.03 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.405 0.682 . . . . 0.0 110.511 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.37 -48.4 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-O 119.298 -0.382 . . . . 0.0 110.803 172.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -57.16 -39.6 75.56 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.046 0.538 . . . . 0.0 111.131 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -58.49 -53.22 60.74 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.936 173.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.49 ' O ' ' HD2' ' B' ' 46' ' ' LYS . 61.5 mt -59.94 -26.78 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.139 0.576 . . . . 0.0 111.789 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 48.7 mt-10 -67.19 -31.57 72.06 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 39.6 m -56.28 -36.99 69.25 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.562 0.539 . . . . 0.0 111.353 171.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.514 ' HA ' ' HB2' ' B' ' 49' ' ' SER . 4.2 mm -69.96 -43.63 79.23 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.519 -175.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' B' ' 42' ' ' ILE . 0.5 OUTLIER -58.29 -26.28 62.81 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.451 1.1 . . . . 0.0 112.849 178.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 99.2 mtt180 -63.47 -54.09 41.9 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.406 0.682 . . . . 0.0 112.529 -174.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -176.08 17.23 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 123.622 0.576 . . . . 0.0 111.621 -171.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.3 t -65.72 -31.71 72.85 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.462 -0.774 . . . . 0.0 112.383 -173.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.31 -33.55 71.24 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.57 0.348 . . . . 0.0 111.72 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.07 3.39 64.45 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.413 -0.66 . . . . 0.0 114.101 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.59 164.66 13.78 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 117.58 0.69 . . . . 0.0 111.502 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -88.84 156.86 18.69 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 41.5 m -110.7 98.06 7.32 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 44.8 t -96.46 127.57 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.024 0.93 . . . . 0.0 109.441 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -109.41 111.2 22.6 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.142 0.496 . . . . 0.0 110.293 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -93.25 -14.25 27.27 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.851 1.261 . . . . 0.0 112.157 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.545 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 5.8 t -88.81 5.9 41.45 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 118.771 0.714 . . . . 0.0 111.398 -175.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -30.2 59.44 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 166.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -159.43 97.85 1.37 Allowed 'General case' 0 C--O 1.24 0.593 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 173.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 5.7 m -55.0 143.65 25.8 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.201 1.001 . . . . 0.0 112.263 -169.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 C-N-CA 124.38 1.072 . . . . 0.0 109.472 -171.242 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.97 149.34 49.95 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.501 0.667 . . . . 0.0 110.919 173.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.45 173.76 11.75 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.637 -170.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -99.28 110.12 22.68 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.13 0.972 . . . . 0.0 109.125 -176.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -93.81 109.8 21.48 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.5 mt -97.36 113.21 31.18 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.658 ' HA ' ' HB ' ' B' ' 58' ' ' THR . 40.9 p90 -131.65 178.78 6.49 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.488 HE21 ' HA2' ' A' ' 12' ' ' GLY . 8.8 pt20 -119.7 142.93 48.05 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 162.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.506 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 33.1 t70 -80.13 162.07 24.94 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.442 1.097 . . . . 0.0 109.173 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -35.17 25.33 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.621 1.568 . . . . 0.0 112.763 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.33 5.57 2.82 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.377 1.071 . . . . 0.0 112.601 174.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.488 ' HA2' HE21 ' A' ' 8' ' ' GLN . . . 69.53 36.72 77.36 Favored Glycine 0 C--N 1.344 0.989 0 C-N-CA 124.134 0.873 . . . . 0.0 113.095 -176.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -109.49 123.75 49.91 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.502 0.321 . . . . 0.0 111.155 -173.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -83.12 110.21 17.83 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 95.5 mtt180 -133.43 135.73 44.77 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.652 1.181 . . . . 0.0 110.171 -169.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -112.64 144.64 41.79 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 170.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -120.53 166.38 13.69 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.744 0.818 . . . . 0.0 108.857 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.577 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 21.4 t80 -124.9 136.75 54.07 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 175.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -97.63 -177.82 3.92 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.384 -172.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . . . -122.48 -151.24 0.47 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.583 1.153 . . . . 0.0 108.402 175.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -93.12 -27.36 16.98 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.762 0.71 . . . . 0.0 110.613 -167.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -103.72 15.26 29.23 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.057 0.943 . . . . 0.0 111.507 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.72 21.08 72.69 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 116.514 -0.312 . . . . 0.0 113.26 -173.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.568 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 53.3 mm-40 -75.94 149.64 37.65 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -110.22 136.32 49.61 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 118.632 0.651 . . . . 0.0 109.843 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.577 ' SD ' ' HB3' ' A' ' 18' ' ' PHE . 1.9 ppp? -113.5 -28.34 7.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.994 0.918 . . . . 0.0 112.023 -173.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.494 ' HD1' ' HE1' ' A' ' 26' ' ' MET . 3.2 p90 -147.41 165.06 31.37 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.733 0.778 . . . . 0.0 110.759 165.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.6 t -142.0 145.56 34.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 112.837 -1.983 . . . . 0.0 105.881 168.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 t -78.26 157.28 29.31 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.8 -22.08 62.4 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.015 0.526 . . . . 0.0 110.537 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.54 42.07 0.76 Allowed Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.425 -0.807 . . . . 0.0 114.246 172.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.6 t80 4.75 -67.36 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 128.037 2.535 . . . . 0.0 116.784 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -166.23 -69.97 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.555 0.342 . . . . 0.0 111.428 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.07 177.29 10.65 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.176 0.591 . . . . 0.0 110.632 -168.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' HE2' HD11 ' A' ' 39' ' ' ILE . 20.7 tptm -65.48 -49.49 68.85 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.781 0.832 . . . . 0.0 111.446 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.78 76.32 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.075 0.464 . . . . 0.0 111.298 174.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.2 m -66.51 -25.5 66.71 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.35 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.78 -51.67 46.2 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 123.579 0.549 . . . . 0.0 110.401 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.492 HD11 ' HE2' ' A' ' 35' ' ' LYS . 2.3 mp -56.14 -50.27 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 122.889 0.476 . . . . 0.0 111.231 176.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -58.0 -39.09 77.4 Favored 'General case' 0 C--O 1.254 1.324 0 O-C-N 123.595 0.559 . . . . 0.0 111.118 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 44' ' ' SER . . . -59.97 -56.31 23.24 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.049 171.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.439 HD13 HG23 ' B' ' 54' ' ' THR . 74.4 mt -57.51 -26.54 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.416 0.686 . . . . 0.0 111.859 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 45.5 mt-10 -67.1 -33.65 75.94 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 119.338 -0.363 . . . . 0.0 110.192 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 22.2 m -54.55 -39.8 68.07 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 123.773 0.67 . . . . 0.0 111.862 169.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.498 ' HA ' ' HB2' ' A' ' 49' ' ' SER . 3.1 mm -68.81 -41.63 82.35 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.51 ' HA ' ' HA ' ' B' ' 50' ' ' ALA . 9.5 mmmm -62.79 -26.34 68.67 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.814 0.845 . . . . 0.0 112.787 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 26.2 mmm180 -62.72 -56.09 20.79 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.482 -174.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -175.08 20.35 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 122.865 0.466 . . . . 0.0 111.331 -172.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.498 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 25.3 t -62.51 -32.7 73.66 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -175.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' B' ' 46' ' ' LYS . . . -64.7 -19.25 65.64 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 173.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.87 -4.0 42.32 Favored Glycine 0 N--CA 1.477 1.393 0 CA-C-O 119.756 -0.469 . . . . 0.0 113.787 171.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.27 137.27 48.44 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.902 0.881 . . . . 0.0 111.515 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.17 158.05 29.72 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.163 0.585 . . . . 0.0 111.172 -177.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.443 HG23 HD13 ' B' ' 42' ' ' ILE . 55.6 m -111.49 97.66 6.9 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 121.475 0.655 . . . . 0.0 109.566 177.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.4 t -94.67 131.05 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.924 1.29 . . . . 0.0 110.593 -176.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -107.0 128.76 54.64 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.664 0.786 . . . . 0.0 111.423 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -100.93 -34.04 9.95 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.999 0.919 . . . . 0.0 112.229 170.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.652 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 9.6 t -78.05 -21.93 49.89 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -159.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.448 HG23 HG23 ' A' ' 58' ' ' THR . 72.8 p -128.28 -13.11 5.03 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 118.239 0.472 . . . . 0.0 110.955 -176.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.6 tpt -75.56 -49.23 19.21 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.986 0.914 . . . . 0.0 110.159 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.7 p -128.92 -71.45 0.63 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.656 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 C-N-CA 123.848 0.859 . . . . 0.0 109.103 -176.037 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.09 157.25 22.66 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.617 0.767 . . . . 0.0 111.702 170.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.53 173.76 10.62 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.02 -171.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.524 ' HZ ' HG21 ' B' ' 45' ' ' ILE . 94.6 m-85 -98.92 110.05 22.72 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.389 1.076 . . . . 0.0 109.493 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -93.6 110.07 21.68 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 25.5 mt -97.61 113.61 32.58 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.652 ' HA ' ' HB ' ' A' ' 58' ' ' THR . 30.4 p90 -132.37 178.7 6.62 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.425 HE21 ' HA2' ' B' ' 12' ' ' GLY . 8.2 pt20 -119.38 142.84 47.82 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 162.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -79.96 162.1 25.12 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.422 1.089 . . . . 0.0 109.037 -177.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -50.71 -35.8 33.0 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.485 1.514 . . . . 0.0 112.194 178.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.32 5.79 2.07 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 124.042 0.937 . . . . 0.0 112.57 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.425 ' HA2' HE21 ' B' ' 8' ' ' GLN . . . 69.8 36.49 74.66 Favored Glycine 0 C--N 1.346 1.114 0 C-N-CA 124.288 0.947 . . . . 0.0 112.841 -177.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -110.11 124.0 50.74 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.367 0.267 . . . . 0.0 110.664 -172.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -83.18 111.42 18.91 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -172.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -133.97 134.75 42.9 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.872 1.269 . . . . 0.0 109.946 -169.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -111.78 144.64 40.75 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 169.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -120.32 166.33 13.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.081 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.566 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 20.1 t80 -124.78 136.6 53.99 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 175.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -97.62 -177.82 3.92 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.369 -172.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . . . -122.24 -151.61 0.48 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.668 1.187 . . . . 0.0 108.374 175.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 17.6 p -92.79 -27.44 17.19 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.455 0.57 . . . . 0.0 110.855 -168.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -103.26 15.18 29.88 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.085 0.954 . . . . 0.0 111.366 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.19 22.03 71.97 Favored Glycine 0 C--N 1.345 1.069 0 CA-C-O 120.151 -0.249 . . . . 0.0 113.134 -173.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . 8.7 mm-40 -76.5 149.82 36.7 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 173.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 38.6 m -110.18 136.35 49.53 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.738 0.699 . . . . 0.0 109.635 174.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.566 ' SD ' ' HB3' ' B' ' 18' ' ' PHE . 2.0 ppp? -113.96 -27.55 7.69 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.045 0.938 . . . . 0.0 112.067 -173.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.508 ' HD1' ' HE1' ' B' ' 26' ' ' MET . 4.5 p90 -148.16 165.11 31.88 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 121.636 0.731 . . . . 0.0 110.728 164.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.0 t -141.47 146.18 36.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 168.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 37.3 t -78.43 157.88 28.85 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -71.2 -22.59 62.0 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 122.947 0.499 . . . . 0.0 110.113 171.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.13 42.09 0.79 Allowed Glycine 0 C--N 1.349 1.274 0 CA-C-N 115.349 -0.842 . . . . 0.0 114.29 172.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.438 ' CE2' ' HB2' ' B' ' 38' ' ' ALA . 3.0 p90 7.14 -67.45 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 128.035 2.534 . . . . 0.0 116.807 171.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -168.04 -70.37 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.036 0.534 . . . . 0.0 111.302 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.07 177.32 10.93 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 122.919 0.488 . . . . 0.0 110.816 -168.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -65.75 -49.21 69.22 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.8 0.84 . . . . 0.0 111.29 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.11 -43.14 77.84 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.911 0.484 . . . . 0.0 111.262 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 18.5 m -66.85 -24.79 66.18 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.29 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' B' ' 32' ' ' TYR . . . -67.08 -53.09 34.21 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.277 0.631 . . . . 0.0 110.654 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.92 -49.28 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 123.669 0.606 . . . . 0.0 111.074 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -57.93 -39.29 77.65 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 123.781 0.676 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' B' ' 44' ' ' SER . . . -60.24 -56.16 24.96 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.939 172.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.443 HD13 HG23 ' A' ' 54' ' ' THR . 64.7 mt -57.8 -26.67 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.295 0.638 . . . . 0.0 111.595 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 41.3 mt-10 -66.4 -34.14 77.29 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.6 0.36 . . . . 0.0 110.1 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 21.7 m -54.32 -40.05 67.61 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.831 0.707 . . . . 0.0 111.623 169.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.524 HG21 ' HZ ' ' B' ' 4' ' ' PHE . 3.0 mm -68.77 -41.52 82.44 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -175.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 8.2 mmmm -63.34 -25.6 68.37 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.692 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' B' ' 43' ' ' GLU . 25.3 mmt180 -62.69 -56.6 16.2 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 124.093 0.871 . . . . 0.0 112.411 -174.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -174.51 20.43 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 123.441 0.463 . . . . 0.0 111.436 -172.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' B' ' 45' ' ' ILE . 25.1 t -62.18 -33.11 73.91 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.276 0.63 . . . . 0.0 112.556 -175.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.51 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . . . -64.29 -19.22 65.26 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 173.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -105.75 -3.55 39.89 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 123.194 0.426 . . . . 0.0 113.71 172.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.51 137.22 47.97 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.69 0.796 . . . . 0.0 111.721 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.35 158.22 29.76 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.813 0.445 . . . . 0.0 111.533 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.439 HG23 HD13 ' A' ' 42' ' ' ILE . 25.7 m -111.11 97.39 6.77 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.262 0.553 . . . . 0.0 109.673 177.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 92.8 t -94.19 130.44 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.999 1.32 . . . . 0.0 110.733 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.85 128.63 53.88 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.822 0.849 . . . . 0.0 111.499 173.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -101.09 -34.52 9.69 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.939 0.896 . . . . 0.0 112.24 169.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.658 ' HB ' ' HA ' ' A' ' 7' ' ' TYR . 14.4 t -76.45 -15.11 59.99 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -159.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 65.9 p -131.81 20.8 4.6 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 28.0 ttt -135.82 -76.74 0.44 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.658 0.783 . . . . 0.0 109.626 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 23.8 p -141.47 100.41 3.77 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 123.47 0.708 . . . . 0.0 109.55 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 C-N-CA 124.002 0.921 . . . . 0.0 109.143 -174.749 . . . . . . . . 0 0 . 1 stop_ save_